bluuebunny/crossref_metadata_2025 huggingface dataset:
Azo‐Group‐Containing Organic Compounds as Electrode Materials in Full‐Cell Lithium‐Ion Batteries
Authors: Wang Yingqian , Yang Zhixiong , Xia Tianlai , Pan Guangxing , Zhang Ling , Chen Hong , Zhang Jiaheng
Published: September 2019

Inorganic compounds, including graphite, transition metal oxides, and chalcogenides, are widely used as electrode materials in rechargeable lithium‐ion batteries (LIBs). However, environmentally friendly and cost‐effective alternatives are pursued by focusing on the molecular design of organic materials that could be potential electrode materials in next‐generation LIBs. Herein, we study the utilization of an organic compound, azobenzene 4,4‐dicarboxylate lithium (ADL), as a negative electrode in full‐cell LIBs. The full‐cell LIBs are assembled by using ADL as the negative electrode, LiCoO2 (LCO/ADL) or LiFePO4 (LFP/ADL) as the positive electrode, and 1 M LiPF6 dissolved in ethylene carbonate/diethylene carbonate (EC : DEC=1 : 1 by volume) as the electrolyte. Then, ex situ X‐ray diffraction (XRD), ex situ X‐ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) were carried out to understand the charge storage mechanism and structural changes during the electrochemical reaction. From the charge/discharge measurements, LFP/ADL rendered a higher specific capacity retention (88.05 %) than LCO/ADL full‐cells (73.79 %) after 200 cycles at a current density of 100 mA g−1. The XPS analysis revealed that the deposition of metallic Li on the ADL anode in LCO/ADL full‐cells led to rapid capacity decay and inferior cyclic performance, whereas Li‐free metal deposition had been observed on the ADL anode in LFP/ADL full cells, which explained the higher cyclic stability and capacity retention rate in LFP/ADL full‐cells. The present study provides useful insights into the development and practical utilization of organic electrodes in next‐generation Li‐ion battery technology.
Chemical Synthesis of Magnetic Nanoparticles for Permanent Magnet Applications
Authors: Shen Bo , Sun Shouheng
Published: September 2019

Permanent magnets are a class of critical materials for information storage, energy storage, and other magneto‐electronic applications. Compared with conventional bulk magnets, magnetic nanoparticles (MNPs) show unique size‐dependent magnetic properties, which make it possible to control and optimize their magnetic performance for specific applications. The synthesis of MNPs has been intensively explored in recent years. Among different methods developed thus far, chemical synthesis based on solution‐phase reactions has attracted much attention owing to its potential to achieve the desired size, morphology, structure, and magnetic controls. This Minireview focuses on the recent chemical syntheses of strongly ferromagnetic MNPs (Hc>10 kOe) of rare‐earth metals and FePt intermetallic alloys. It further discusses the potential of enhancing the magnetic performance of MNP composites by assembly of hard and soft MNPs into exchange‐coupled nanocomposites. High‐performance nanocomposites are key to fabricating super‐strong permanent magnets for magnetic, electronic, and energy applications.
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

Providing 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

The 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

Steel 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

Highly 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

Double 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

Fire 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.
CpRu Complexes Containing Water Soluble Phosphane PTA and Natural Purines Adenine, Guanine and Theophylline: Synthesis, Characterization, and Antiproliferative Properties
Authors: Hajji Lazhar , Saraiba‐Bello Cristobal , Segovia‐Torrente Gaspar , Scalambra Franco , Romerosa Antonio
Published: September 2019

Complexes [RuCp(Adeninate‐κN9)(PTA)2] (1), [RuCp(Guaninate‐κN9)(PTA)2] (2), [RuCp(Theophyllinate‐κN7)(PTA)2] (3), [RuCp(Adeninate‐κN9)(PPh3)(PTA)] (4), [RuCp(Guaninate‐κN9)(PPh3)(PTA)] (5) and [RuCp(Theophyllinate‐κN7)(PPh3)(PTA)] (6) were synthesized and characterized by NMR spectroscopy, elemental analysis and FT‐IR (PTA = 1,3,5‐triaza‐7‐phosphaadamantane). Crystal structures of 1·H2O·3EtOH, 3·CH3COCH3 and 4·H2O were also determined by single‐crystal X‐ray diffraction. The antiproliferative activities of the complexes against cisplatin‐sensitive T2 and cisplatin‐resistant SKOV3 cell lines have also been evaluated. Theoretical studies were preformed to elucidate how the adeninate ligand is coordinated to the metal.
Synthesis of 3,5‐Disubstituted Isoxazoles through a 1,3‐Dipolar Cycloaddition Reaction between Alkynes and Nitrile Oxides Generated from O‐Silylated Hydroxamic Acids
Authors: Carloni Laure‐Elie , Mohnani Stefan , Bonifazi Davide
Published: September 2019

In this paper, we report the regioselective synthesis of 3,5‐disubstituted isoxazoles by 1,3‐dipolar cycloaddition between alkynyl dipolarophiles and nitrile oxide dipoles generated in‐situ from O‐silylated hydroxamic acids in the presence of trifluoromethanesulfonic anhydride and NEt3. Thanks to the mild, metal‐free and oxidant‐free conditions that this strategy offers, the reaction was successfully applied to a wide variety of alkynyl dipolarophiles, demonstrating the tolerance of this approach to diverse functional groups. In particular, we have shown that the method was compatible with biological molecules such as peptides and peptide nucleic acids (PNA). This protocol constitutes another example of metal‐free 1,3‐dipolar cycloaddition leading to the regioselective formation of isoxazoles.
Exploration of Unimolecular and Bimolecular Pathways for Nitrile N‐Oxide Isomerization to Isocyanate Through Global Reaction Route Mapping Techniques
Authors: Hayashi Yoshihiro , Ishiyama Yuki , Takata Toshikazu , Kawauchi Susumu
Published: September 2019

Mechanisms of the unimolecular and bimolecular isomerization of nitrile N‐oxide to isocyanate were investigated by quantum chemical calculations using the global reaction route mapping (GRRM) technique, which consists of the anharmonic downward distortion following (ADDF) and multi‐component artificial force induced reaction (AFIR) methods, which can exhaustively search reaction paths. In the unimolecular isomerization, isomerization paths of nitrile N‐oxide to isocyanate were exhaustively explored by the ADDF method. The energetically lowest path for 2,6‐dimethoxybenzonitrile oxide (Ar–CNO) isomerization was via oxazirine intermediate formation, which was the rate‐determining step with an activation free energy of 56.8 kcal mol–1. The high activation free energy indicates that the isomerization hardly proceeds as a thermal unimolecular reaction. Next, the bimolecular isomerization paths of Ar–CNO were explored for diradical addition, [3+2] and [3+3] cycloadditions, and self‐catalyzed isomerization through the AFIR method. The diradical addition was the energetically lowest path with an activation free energy of 55.4 kcal mol–1. Although the bimolecular isomerization was energetically favorable than the unimolecular isomerization, its activation free energy was still high for the reaction to proceed under thermal conditions. Exhaustive path searching for these unimolecular and bimolecular isomerizations suggest that these reactions are catalyzed by acid or base.
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

To 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

Objective

To evaluate risk factors associated with neonatal morbidity and mortality in pregnant women with preterm prelabor rupture of membranes (PPROM) after cervical cerclage.

Methods

A 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.

Results

Overall, 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).

Conclusion

Oligohydramnios 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

Introduction

Pneumatosis 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 presentation

A 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.

Conclusion

It 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

A 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

Introduction

In 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.

Methods

The 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.

Results

From 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).

Conclusions

Although 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

Background

Vascular complications are common during invasive cardiac electrophysiology procedures. This meta‐analysis compares outcomes following ultrasound and nonultrasound‐guided vascular access for these procedures.

Methods

PubMed, Embase and Cochrane 01/01/1980‐30/09/2018 were searched for relevant studies to meta‐analyse.

Results

Seven 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.

Conclusion

Ultrasound 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

Background

In 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.

Methods

This 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.

Results

The 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.

Conclusion

This 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

Our 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

Background

Infants 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.

Methods

Thawed 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.

Results

All 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).

Conclusion

Breast 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.
Dose–response linearization in radiochromic film dosimetry based on multichannel normalized pixel value with an integrated spectral correction for scanner response variations
Authors: Aldelaijan Saad , Devic Slobodan , Papaconstadopoulos Pavlos , Bekerat Hamed , Cormack Robert A. , Seuntjens Jan , Buzurovic Ivan M.
Published: September 2019

Purpose

To introduce a model that reproducibly linearizes the response from radiochromic film (RCF) dosimetry systems at extended dose range. To introduce a correction method, generated from the same scanned images, which corrects for scanner temporal response variation and scanner bed inhomogeneity.

Methods

Six calibration curves were established for different lot numbers of EBT3 GAFCHROMIC™ film model based on four EPSON scanners [10000XL (2 units), 11000XL, 12000XL] at three different centers. These films were calibrated in terms of absorbed dose to water based on TG51 protocol or TRS398 with dose ranges up to 40 Gy. The film response was defined in terms of a proposed normalized pixel value () as a summation of first‐order equations based on information from red, green, and blue channels. The fitting parameters of these equations are chosen in a way that makes the film response equal to dose at the time of calibration. An integrated set of correction factors (one per color channel) was also introduced. These factors account for the spatial and temporal changes in scanning states during calibration and measurements. The combination of and this “fingerprint” correction formed the basis of this new protocol and it was tested against net optical density () single‐channel dosimetry in terms of accuracy, precision, scanner response variability, scanner bed inhomogeneity, noise, and long‐term stability.

Results

Incorporating multichannel features (RGB) into the normalized pixel value produced linear response to absorbed dose (slope of 1) in all six RCF dosimetry systems considered in this study. The “fingerprint” correction factors of each of these six systems displayed unique patterns at the time of calibration. The application of to all of these six systems could achieve a level of accuracy of ± 2.0% in the dose range of interest within modeled uncertainty level of 2.0%–3.0% depending on the dose level. Consistent positioning of control and measurement film pieces and integrating the multichannel correction into the response function formalism mitigated possible scanner response variations of as much as ± 10% at lower doses and scanner bed inhomogeneity of ± 8% to the established level of uncertainty at the time of calibration. The system was also able to maintain the same level of accuracy after 3 and 6 months post calibration.

Conclusions

Combining response linearity with the integrated correction for scanner response variation lead to a sustainable and practical RCF dosimetry system that mitigated systematic response shifts and it has the potential to reduce errors in reporting relative information from the film response.
Boosting‐based cascaded convolutional neural networks for the segmentation of CT organs‐at‐risk in nasopharyngeal carcinoma
Authors: Zhong Tao , Huang Xia , Tang Fan , Liang Shujun , Deng Xiaogang , Zhang Yu
Published: September 2019

Purpose

Accurately segmenting organs‐at‐risk (OARs) is a key step in the effective planning of radiation therapy for nasopharyngeal carcinoma (NPC) treatment. In OAR segmentation of the head and neck computed tomography (CT), the low‐contrast and surrounding adhesion tissues of the parotids, thyroids, and optic nerves result in the difficulty in segmentation and lower accuracy of automatic segmentation for these organs than the other organs. In this paper, we propose a cascaded network structure to delineate these three OARs for NPC radiotherapy by combining deep learning and Boosting algorithm.

Materials and methods

The CT images of 140 NPC patients treated with radiotherapy were collected, and each of the three OAR annotations was respectively delineated by an experienced rater and reviewed by a professional radiologist (with 10 yr of experience). The datasets (140 patients) were divided into a training set (100 patients), a validation set (20 patients), and a test set (20 patients). From the Boosting method for combining multiple classifiers, three cascaded CNNs for segmentation were combined. The first network was trained with the traditional approach. The second one was trained on patterns (pixels) filtered by the first net. That is, the second machine recognized a mix of patterns (pixels), 50% of which was accurately identified by the first net. Finally, the third net was trained on the new patterns (pixels) screened jointly by the first and second networks. During the test, the outputs of the three nets were considered to obtain the final output. Dice similarity coefficient (DSC), 95th percentile of the Hausdorff distance (95% HD), and volume overlap error (VOE) were used to assess the method performance.

Results

The mean DSC (%) values were above 92.26 for the parotids, above 92.29 for the thyroids, and above 89.37 for the optic nerves. The mean 95% HDs (mm) were approximately 3.08 for the parotids, 2.64 for the thyroids, and 2.03 for the optic nerves. The mean VOE (%) values were approximately 14.16 for the parotids, 14.94 for the thyroids, and 19.07 for the optic nerves.

Conclusions

The proposed cascaded deep learning structure could achieve high performance compared with existing single‐network or other segmentation algorithms.
Kinetics of the anionic homopolymerizations of ß–myrcene and 4–methylstyrene in cyclohexane initiated by n–butyllithium
Authors: González‐Villa Jaime , Saldívar‐Guerra Enrique , de León‐Gómez Ramón Enrique Díaz , López González Héctor Ricardo , Infante‐Martínez José Ramiro
Published: September 2019

The kinetics of isothermal anionic homopolymerization of ß–myrcene (MYR) and 4–methylstyrene (4MS) in cyclohexane, initiated by n–butyllithium was studied at different temperatures (55, 63, and 71 ° C). The kinetic information obtained from the homopolymerizations was used to estimate the parameters of the Eyring equation,
ΔH‡= 84080 J/mol and
ΔS‡= −21.9 J/mol·K for the MYR, and
ΔH‡= 51250 J/mol and
ΔS‡= −116.8 J/mol·K for the 4MS, to calculate the apparent propagation coefficients as a function of temperature. Finally, the parameters obtained for the Eyring equation were validated by applying them in a mathematical model representing the kinetics of nonisothermal (quasi‐adiabatic) polymerization experiments of MYR and 4MS. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 2157–2165
Fabrication of Carbon Dioxide‐based Amphiphilic Block Copolymers for Drug delivery
Authors: Wang Man , Niu Yongsheng , Ma Huixin , Wang Zhenglei , Li Hongchun
Published: September 2019

In this study, two types of carbon dioxide‐based amphiphilic block copolymers (CO2‐based copolymers), monomethoxy poly(ethylene glycol)‐block‐poly(propylene carbonate) (mPEG‐b‐PPC) and allyloxy poly(ethylene glycol)‐block‐poly(propylene carbonate) (aPEG‐b‐PPC), were synthesized by one step copolymerization. The structure of the copolymer was determined by FTIR spectrum and 1H NMR characterization. On this base, the development of the preparation and controlling capability of CO2‐based copolymers controlled‐release particles were studied. Drug‐loaded particles were formed by two types of CO2‐based copolymers, which possess sustained‐release function. Given that the surface layer of aPEG‐b‐PPC particles has double bonds, shell cross‐linked particles were prepared by cross‐linking reaction of the allyloxy. Compared with aPEG‐b‐PPC particles, aPEG‐b‐PPC shell cross‐linked particles showed that the release rate was more slowly and suppressed the phenomenon of an initial burst release.
An Adaptive Real‐Time 3D Single Particle Tracking Method for Monitoring Viral First Contacts
Authors: Hou Shangguo , Welsher Kevin
Published: September 2019

Here, an adaptive real‐time 3D single particle tracking method is proposed, which is capable of capturing heterogeneous dynamics. Using a real‐time measurement of a rapidly diffusing particle's positional variance, the 3D precision adaptive real‐time tracking (3D‐PART) microscope adjusts active‐feedback parameters to trade tracking speed for precision on demand. This technique is demonstrated first on immobilized fluorescent nanoparticles, with a greater than twofold increase in the lateral localization precision (≈25 to ≈11 nm at 1 ms sampling) as well as a smaller increase in the axial localization precision (≈ 68 to ≈45 nm). 3D‐PART also shows a marked increase in the precision when tracking freely diffusing particles, with lateral precision increasing from ≈100 to ≈70 nm for particles diffusing at 4 µm2 s−1, although with a sacrifice in the axial precision (≈250 to ≈350 nm). This adaptive microscope is then applied to monitoring the viral first contacts of virus‐like particles to the surface of live cells, allowing direct and continuous measurement of the viral particle at initial contact with the cell surface.
Amorphous Ruthenium‐Sulfide with Isolated Catalytic Sites for Pt‐Like Electrocatalytic Hydrogen Production Over Whole pH Range
Authors: Li Pengsong , Duan Xinxuan , Wang Shiyuan , Zheng Lirong , Li Yaping , Duan Haohong , Kuang Yun , Sun Xiaoming
Published: September 2019

Electrocatalytic hydrogen evolution reaction (HER) is an efficient way to generate hydrogen fuel for the storage of renewable energy. Currently, the widely used Pt‐based catalysts suffer from high costs and limited electrochemical stability; therefore, developing an efficient alternative catalyst is very urgent. Herein, one pot hydrothermal synthesis is reported of amorphous ruthenium‐sulfide (RuSx) nanoparticles (NPs) supported on sulfur‐doped graphene oxide (GO). The as‐obtained composite serves as a Pt‐like HER electrocatalyst. Achieving a current density of −10 mA cm−2 only requires a small overpotential (−31, −46, and −58 mV in acidic, neutral, and alkaline electrolyte, respectively) with high durability. The isolated Ru active site inducing Volmer–Heyrovsky mechanism in the RuSx NPs is demonstrated by the Tafel analysis and X‐ray absorption spectroscopy characterization. Theoretical simulation indicates the isolated Ru site exhibits Pt‐like Gibbs free energy of hydrogen adsorption (−0.21 eV) therefore generating high intrinsic HER activity. Moreover, the strong bonding between the RuSx and S–GO, as well as pH tolerance of RuSx are believed to contribute to the high stability. This work shows a new insight for amorphous materials and provides alternative opportunities in designing advanced electrocatalysts with low‐cost for HER in the hydrogen economy.
Chemical Modification of Cornstarch by Hydroxypropylation Enhances Cecal Fermentation‐Mediated Lipid Metabolism in Rats
Authors: Nagata Ryuji , Kamibayashi Ryohei , Bochimoto Hiroki , Fukuma Naoki , Shimada Kenichiro , Tachibe Makoto , Takaishi Yasuyuki , Han Kyu‐Ho , Fukushima Michihiro
Published: September 2019

Hydroxypropylated (HP)‐cornstarch is fed to rats for 4 weeks and the effects on cecal fermentation and lipid metabolism are evaluated. In the cecum of rats fed either HP‐normal cornstarch (NCS) or HP‐waxy cornstarch (WCS), microbial composition is altered and the relative abundances of the Firmicutes and Bacteroidetes are decreased and increased, respectively, compared to high amylose cornstarch (HACS), NCS, and WCS groups. Cecal total‐short‐chain fatty acid (SCFA) content in the rats fed HP‐NCS and HP‐WCS is higher than the rats fed NCS and WCS. In HP‐NCS and HP‐WCS groups, cecal pH and mesenteric adipocyte area are decreased, and the plasma glucagon‐like peptide‐1 (GLP‐1) level and cecal mucin content are increased compared to HACS, NCS, and WCS groups. Plasma GLP‐1 level correlates positively with the cecal SCFA content and the serum insulin level, and negatively with the feed intake, while the adipocyte area positively correlates with the serum triglyceride level. Therefore, HP‐cornstarch may have possessed beneficial traits that enhance cecal fermentation and thereby influenced lipid metabolism, equally or greater than that of HACS.
Effects of Polymethacrylamide‐Grafted Branch on Mechanical Performances, Hydrophilicity, and Biodegradability of Thermoplastic Starch Film
Authors: Weerapoprasit Chayapa , Prachayawarakorn Jutarat
Published: September 2019

To overcome the shortcomings of brittleness and high water uptake of thermoplastic native starch (TPNS) film, thermoplastic‐grafted starch (TPGS) film is prepared and tested using starch‐g‐polymethacrylamide (PMAM) with different percentages of grafting. Starch‐g‐PMAM is compounded in an internal mixer and then shaped by a compression molding machine to produce a TPGS film. Functional group analysis by Fourier transform infrared spectroscopy (FTIR) revealed that the graft copolymerization is successful, as evident from new characteristic infrared (IR) peaks of amide group (C═O stretching and N─H bending). TPGS films with MAM has more surface roughness than TPNS film does. With higher grafting percentages, the degrees of crystallinity and hydrophilicity of TPGS film reduce while the extensibility (based on strain at maximum load) and surface roughness increase, compared to that at lower percentages of grafting. The biodegradability of TPGS films grafted with MAM at different percentages is also examined.
Methods for Extracting Cereal Starches from Different Sources: A Review
Authors: El Halal Shanise Lisie Mello , Kringel Dianini Hüttner , Zavareze Elessandra da Rosa , Dias Alvaro Renato Guerra
Published: September 2019

The versatility of starch products is such that they are used as ingredients and functional supplements in a variety of food, nonfood, and feed applications. As starch is the largest constituent of cereal grains, there is an increasing interest in the isolation of the product from starch sources. Besides that, cereals are the main raw material used for the isolation and extraction of starch. The method of cereal starch isolation is influenced mainly by protein solubility, the level of protein–starch interaction, and characteristics of the starch granules. This review discusses traditional methods as well as recent advances in the extraction of cereal starches. The present review is important for understanding the effects of the particular characteristics of each cereal source in the starch extraction, including the size and morphology of starch granules, the composition of proteins with different solubilities, and protein–starch interactions. This information may avoid waste of reagents and unnecessary steps and facilitate the starch extraction process
The rGO/BiOBr/Bi4O5Br2 Composites with Stacked Nanosheets for Ciprofloxacin Photodegradation under Visible Light Irradiation
Authors: Pan Yu , Wu Dongfang
Published: September 2019

The rGO/BiOBr/Bi4O5Br2 nanocomposite powders with stacked nanosheets were fabricated by one‐step solvothermal method. The components, morphologies, optical properties and the separate of photo‐induced carriers were explored by XRD, FT‐IR, SEM, TEM, UV/Vis DRS and PL experiments. The results manifest that the reduced graphene oxide (rGO) plays a vital part in transmitting and evacuating electrons, which promotes the separate efficiency of photo‐induced carriers and enhances the photodegradation efficiency of ciprofloxacin. The influences of synthesis conditions were also explored, which cover rGO content, solvent thermal reaction pH, temperature and time. In addition, a feasible photocatalytic mechanism over ciprofloxacin photodegradation under visible light irradiation was proposed.
Nitroaromatic‐detecting Layered Cadmium Cyclohexyldicarboxylate Coordination Polymers with Long‐Spanning Dipyridyl Pillaring Ligands
Authors: Contejean Zaria I. , Martinez Brianna L. , LaDuca Robert L.
Published: September 2019

Three new divalent cadmium coordination polymers containing cyclohexyldicarboxylate and pillaring dipyridylamide ligands have been prepared and structurally characterized via single‐crystal X‐ray diffraction. All three compounds exhibited layered structures, but with different topologies and interpenetration schemes. [Cd2(12chedc)2(ebin)(H2O)2]n (1) [12chedc = 1,2‐cyclohex‐4‐ene‐dicarboxylate, ebin = ethylenediamine(bis)isonicotinamide] displays a 2D 3,4‐connected net with (426)(42638) topology, also known as the V2O5 structural type. {[Cd(13cdc)(ebin)]·H2O}n (2) (13cdc = cis‐1,3‐cyclohexanedicarboxylate) showed a rare 2D + 2D → 3D parallel polycatenated system of looped layer networks. {[Cd(13cdc)(hbn)]·H2O}n (3) [hbn = hexanediamine(bis)nicotinamide] manifests a (426)(42678) network, also known as the 3,5L2 net. All three materials were assayed as fluorescent “turn‐off” sensors for the detection of nitrobenzene in solution. Thermal decomposition behavior of the new phases is also discussed.
A Photodynamic System based on Endogenous Bioluminescence for in vitro Anticancer Studies
Authors: Lin Wenxin , Gong Jianqiu , Fang Liquan , Jiang Ke
Published: September 2019

Photodynamic therapy (PDT) is becoming an important cancer treatment in recent years. However, at present, the therapeutic effect of PDT is limited due to insufficient penetration depth of light. In this study, a new photodynamic system (d‐Lu)PCN‐224 is constructed by porphyrin‐based metal‐organic framework (MOF) PCN‐224 and bioluminescent molecule d‐fluorescein (d‐Lu). The bioluminescence (BL) spectrum of the reaction overlaps with the absorption spectrum of PCN‐224, so it is speculated that bioluminescence resonance energy transfer (BRET) between the MOF and d‐Lu which indicates inner light can be gained and used for PDT. Confocal imaging analysis and cytotoxicity assays have demonstrated that (d‐Lu)PCN‐224 can produce singlet oxygen and decrease the cell viability of SKOV‐3. This system provides a possibility of PDT for deep‐level organization without an external light source.