bluuebunny/crossref_metadata_2025 huggingface dataset:
Coatings with Columnar Microstructures for Thermal Barrier Applications
Authors: Mauer Georg , Vaßen Robert
Published: November 2019

Columnar‐structured thermal barrier coatings (TBCs) manufactured by electron beam‐physical vapor deposition (EB‐PVD) are well known to exhibit high strain tolerance. However, as EB‐PVD is a high‐vacuum process, it is expensive. Suspension plasma spraying (SPS) and plasma spray‐physical vapor deposition (PS‐PVD) are alternatives for the manufacture of similar microstructures. Herein, the state of the art of manufacturing columnar‐structured TBCs by SPS and PS‐PVD is outlined. Both processes have been investigated and further developed at Forschungszentrum Jülich for many years. The mechanisms leading to the formation of columnar‐structured coatings are described and differentiated from EB‐PVD. Examples are given for SPS and PS‐PVD columnar microstructures and their life performance.
Study of a Line‐Patterning Process Using Impact Print‐Type Hot Embossing Technology
Authors: Kim Myeongjin , Ahn Jaewon , Bae Junseong , Kim Donghyun , Kim Jongbum , Kim Jonghyun , Yun Dongwon
Published: November 2019

An impact print‐type hot embossing process is a method for creating arbitrary patterns on polymer film in real‐time. This process can form 20–100 μm dot patterns and line patterns using an impact head and a high‐precision moving stage on a polymer film such as polyester (PET) film, polymethyl methacrylate (PMMA) film, polyvinyl chloride (PVC) film without the need for the embossing stamps used for conventional hot embossing processes. This technology can also create line patterns with varying widths and depths by adjusting the positions of the impact header. Moreover, the proposed process can be used to fabricate electrical channels of various widths and depths to install ultrafine electronic devices. Because the proposed method can create ultrafine patterns in real‐time, using it can reduce the cost and time required for pattern modifications and process replacements. In addition, from the result of the bending test after applying the conductive ink to the line pattern, it is known that this process is suitable for making the flexible electrical channel. The advantages of this line‐patterning method will contribute significantly to the current field of hot embossing to create ultrafine patterns by enabling small‐quantity production of various types of products while also facilitating mass production.
Role of Modifying Photoanodes by Organic Titanium on Charge Collection Efficiency Enhancement in Dye‐Sensitized Solar Cells
Authors: Cao Dapeng , Yin Huiming , Yu Xiaohui , Zhang Jingbo , Jiao Yunfei , Zheng Wei , Mi Baoxiu , Gao Zhiqiang
Published: November 2019

Mesoporous TiO2 photoanodes are prepared by an electrophoretic deposition (EPD) method and applied in dye‐sensitized solar cells (DSSCs). Pretreating an F‐doped SnO2 coated glass (FTO) substrate and post‐treating a TiO2 film to introduce an anatase TiO2 layer on the FTO and the TiO2 film, respectively, can greatly improve the power conversion efficiency (PCE) of a DSSC, which constitutes up 31% improvement compared with the untreated device. To disclose the mechanism for improvement, scanning electron microscopy, electrochemical impedance spectroscopy, open‐circuit voltage decay, and photoluminescence spectra are investigated. It is proposed that the preformed compact TiO2 layer can suppress the back recombination by preventing direct contact between the electrolyte and the FTO substrate. Moreover, the compact TiO2 layer can reduce contact resistance between FTO and TiO2 particles. Further increased PCE by post‐treatment is attributed to the promoted charge transfer efficiency. Both pre‐ and post‐treating strategies can offer a reference to enhance the PCE for other porous film‐based DSSCs, as well as promote the application of EPD in DSSCs.
In Operando Monitoring by Analysis of Backscattered Electrons during Electron Beam Melting
Authors: Arnold Christopher , Böhm Jonas , Körner Carolin
Published: November 2019

Additive manufacturing by electron beam melting (EBM) is a complex process, which still lacks reliable tools for process monitoring. Demanding processing conditions such as high temperature, high vacuum, and X‐ray radiation impede the continuous operation of standard process monitoring devices such as light‐optical camera systems. To overcome this deficit, the detection of backscattered electrons (BSEs) is a highly promising approach. A detection system for BSEs is used for recording the in operando signal during melting inside an EBM system. The acquired data are postprocessed by mapping the data points to spatial coordinates. A comparison between the obtained intensity map and the as‐built surface shows a remarkable correlation, which might be suitable for process monitoring and quality control purposes.
Biocompatible 3D Printed Microneedles for Transdermal, Intradermal, and Percutaneous Applications
Authors: Moussi Khalil , Bukhamsin Abdullah , Hidalgo Tania , Kosel Jurgen
Published: November 2019

Microneedles (MNs) are playing an increasingly important role in biomedical applications, where minimally invasive methods are being developed that require imperceptible tissue penetration and drug delivery. To improve the integration of MNs in microelectromechanical devices, a high‐resolution 3D printing technique is implemented. A reservoir with an array of hollow MNs is produced. The flow rate through the MNs is simulated and measured experimentally. The mechanical properties of the 3D printed material, such as elasticity modulus and yield strength, are investigated as functions of printing parameters, reaching maximum values of 1750.7 and 101.8 MPa, respectively. Analytical estimation of the MN buckling, fracture, and skin penetration forces is presented. Penetration tests of MNs into a skin‐like material are conducted, where the piercing force ranges from 0.095 to 0.115 N, confirming sufficient stability of MNs. Furthermore, 200 and 400 μm‐long MN arrays are used to successfully pierce and deliver into mouse skin with an average penetration depth of 100 and 180 μm, respectively. A biocompatibility assessment is performed, showing a high viability of HCT 116 cells cultured on top of the MN's material, making the developed MNs a very attractive solution for many biomedical applications.
Bioinspired Flexible, Dual‐Modulation Synaptic Transistors toward Artificial Visual Memory Systems
Authors: Sun Fuqin , Lu Qifeng , Liu Lin , Li Lianhui , Wang Yingyi , Hao Mingming , Cao Zhiguang , Wang Zihao , Wang Shuqi , Li Tie , Zhang Ting
Published: November 2019

A prominent challenge for artificial synaptic devices toward artificial perception systems is hardware redundancy, which demands neuromorphic devices that integrate both sensing and processing functions. Inspired by the biological visual and nervous systems, a novel flexible, dual‐modulation synaptic field‐effect transistor (SFET) is demonstrated in this work. The flexible SFET is constructed with zinc oxide nanowires and sodium alginate, which acts as the semiconductor layer and the gate dielectric, respectively. An excitatory postsynaptic current in this artificial synapse can be triggered by both electrical and ultraviolet stimuli as presynaptic spikes as a result of the electric double layer effect and the photoelectric effect. More importantly, through the co‐modulation of light and electric stimuli, the memory level of the artificial synapses can be tuned based on the transformation between short‐term plasticity and long‐term plasticity initiated by the gate voltage. Different voltages can modulate the memory retention levels of the optical inputs similar to the function of the optic nerve system. The underlying mechanisms for the SFET are investigated using Fourier transform infrared spectroscopy, photoluminescence, and X‐ray photoelectron spectroscopy. Overall, the devices provide a novel idea to mimic visual memory, showing a promising strategy for future electronic eyes.
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica‐Exchange
Authors: Wan Shunzhou , Tresadern Gary , Pérez‐Benito Laura , van Vlijmen Herman , Coveney Peter V.
Published: November 2019

A systematic and statistically robust protocol is applied for the evaluation of free energy calculations with and without replica‐exchange. The protocol is based on ensemble averaging to generate accurate assessments of the uncertainties in the predictions. Comparison is made between FEP+ and TIES—free energy perturbation and thermodynamic integration with enhanced sampling—the latter with and without the so‐called “enhanced sampling” based on replica‐exchange protocols. Standard TIES performs best for a reference set of targets and compounds; no benefits accrue from replica‐exchange methods. Evaluation of FEP+ and TIES with REST—replica‐exchange with solute tempering—reveals a systematic and significant underestimation of free energy differences in FEP+, which becomes increasingly large for long duration simulations, is confirmed by extensive analysis of previous publications, and raises a number of questions pertaining to the accuracy of the predictions with the REST technique not hitherto discussed.
A Spectroscopic Study of the Insulator–Metal Transition in Liquid Hydrogen and Deuterium
Authors: Jiang Shuqing , Holtgrewe Nicholas , Geballe Zachary M. , Lobanov Sergey S. , Mahmood Mohammad F. , McWilliams R. Stewart , Goncharov Alexander F.
Published: November 2019

The insulator‐to‐metal transition in dense fluid hydrogen is an essential phenomenon in the study of gas giant planetary interiors and the physical and chemical behavior of highly compressed condensed matter. Using direct fast laser spectroscopy techniques to probe hydrogen and deuterium precompressed in a diamond anvil cell and laser heated on microsecond timescales, an onset of metal‐like reflectance is observed in the visible spectral range at P >150 GPa and T ≥ 3000 K. The reflectance increases rapidly with decreasing photon energy indicating free‐electron metallic behavior with a plasma edge in the visible spectral range at high temperatures. The reflectance spectra also suggest much longer electronic collision time (≥1 fs) than previously inferred, implying that metallic hydrogen at the conditions studied is not in the regime of saturated conductivity (Mott–Ioffe–Regel limit). The results confirm the existence of a semiconducting intermediate fluid hydrogen state en route to metallization.
Graphitic‐Shell Encapsulation of Metal Electrocatalysts for Oxygen Evolution, Oxygen Reduction, and Hydrogen Evolution in Alkaline Solution
Authors: Khani Hadi , Grundish Nicholas S. , Wipf David O. , Goodenough John B.
Published: November 2019

Developing highly efficient, cost effective, and environmentally friendly electrocatalysts for the oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and hydrogen evolution reaction (HER) is of interest for sustainable and clean energy technologies, including metal–air batteries and fuel cells. In this work, the screening of electrocatalytic activities of a series of single metallic iron, cobalt, and nickel nanoparticles and their binary and ternary alloys encapsulated in a graphitic carbon shell toward the OER, ORR, and HER in alkaline media is reported. Synthesis of these compounds proceeds by a two‐step sol–gel and carbothermal reduction procedure. Various ex situ characterizations show that with harsh electrochemical activation, the graphitic shell undergoes an electrochemical exfoliation. The modified electronic properties of the remaining graphene layers prevent their exfoliation, protect the bulk of the metallic cores, and participate in the electrocatalysis. The amount of near‐surface, higher‐oxidation‐state metals in the as‐prepared samples increases with electrochemical cycling, indicating that some metallic nanoparticles are not adequately encased within the graphite shell. Such surface oxide species provide secondary active sites for the electrocatalytic activities. The Ni–Fe binary system gives the most promising results for the OER, and the Co–Fe binary system shows the most promise for the ORR and HER.
Cranial nerve V2 and Vidian nerve trauma secondary to lateral pterygoid recess encephalocele repair
Authors: Chislett Sean P. , Limjuco Alexander P. , Solyar Alla Y. , Lanza Donald C.
Published: November 2019

Background

The incidence of adverse sequelae related to trauma of cranial nerve V2 (V2) and the Vidian nerve (VN) during endoscopic pterygoid recess repair (PRR) of lateral sphenoid encephalocele is insufficiently reported in the medical literature. As part of our quality assessment and improvement program we sought to analyze the incidence and severity of V2 and VN injury during a 9‐year experience (2010‐2018) with PRR.

Methods

Hypoesthesia, paresthesia, and dry eye and their impact on patient quality of life were sought through chart review and a self‐reported 0 to 5 Likert scale for each symptom.

Results

Thirty‐five patients underwent repair of spontaneous cerebrospinal‐fluid (CSF) rhinorrhea, with 11 consecutive patients undergoing endoscopic PRR. Mean follow‐up for PRR was 32.5 months (range, 2.4 to 103.3 months). Although definitive management resulted in 100% success, 1 required secondary treatment. Eight patients were available for long‐term follow‐up (72.7%) and completed a symptom severity questionnaire using a Likert‐scale. All patients observed either hypoesthesia, paresthesia, or dry eye of varying gradation (scale, 0 to 5). None described disabling symptoms, and some reported gradual improvement. Numbness, paresthesia, and dry eye were reported by 6 of 8 (75%), 5 of 8 (62.5%), and 4 of 8 (50%) patients, respectively. The mean Likert score among the 8 patients who completed this questionnaire noticing hypoesthesia, paresthesia, and dry eye was 2.6, 1.3, and 1.8, respectively.

Conclusion

Meticulous surgical technique is paramount for successful PRR and minimizing nerve injury, yet the anatomic variation of the lateral pterygoid recess can be challenging, and neural injury is a real risk. Preoperatively, patients should be counseled that although V2 or VN injury is common, most patients describe resulting symptoms to be rarely bothersome.
The Ten Commandments for Teaming Up in an ADR Proceeding
Authors: Lopez Nicolas E. , Kulesza Gustavo Santos
Published: November 2019

An Argentinean and a Brazilian walk into a coffee shop to complain about their problems. …
[SnI8{Fe(CO)4}4]2+: Highly Coordinated Sn+III8 Subunit with Fragile Carbonyl Clips
Authors: Wolf Silke , Köppe Ralf , Block Theresa , Pöttgen Rainer , Roesky Peter W. , Feldmann Claus
Published: November 2019

[SnI8{Fe(CO)4}4][Al2Cl7]2 contains the [SnI8{Fe(CO)4}4]2+ cation with an unprecedented highly coordinated, bicapped SnI8 prism. Given the eightfold coordination with the most voluminous stable halide, it is all the more surprising that this SnI8 arrangement is surrounded only by fragile Fe(CO)4 groups in a clip‐like fashion. Inspite of a predominantly ionic bonding situation in [SnI8{Fe(CO)4}4]2+, the I−⋅⋅⋅I− distances are considerably shortened (down to 371 pm) and significantly less than the van der Waals distance (420 pm). The title compound is characterized by single‐crystal structure analysis, spectroscopic methods (EDXS, FTIR, Raman, UV/Vis, Mössbauer), thermogravimetry, and density functional theory methods.
Carbon Nanoarrays Embedded with Metal Compounds for High‐Performance Flexible Supercapacitors
Authors: Zhu Chenyu , Guan Cao , Cai Dongming , Chen Tian , Wang Yonghui , Du Junjie , Wu Jun , Xu Xi , Yu Hong , Huang Wei
Published: November 2019

Metal‐organic frameworks (MOFs)‐derived nanoarrays have been widely used as electrode materials in energy storage applications with the unique morphology and large specific surface area. Herein, we report a series of N‐doped carbon arrays embedded with different metal compounds (noted as NC@Co3O4, NC@CoSe2 and NC@CoS2), which have been derived from a Co‐based MOF through simple fabrication processes. The resulted structures have high surface‐to‐volume ratio and short charge‐transfer paths in electrochemical reactions, which greatly benefit the energy storage performance. An asymmetric supercapacitor of NC@CoS2//Co‐NC@Fe2O3 is also demonstrated, which has a power density up to 23.5 kW/kg and illustrates good cycling stability after long‐time rapid charging and discharging. This work demonstrates a promising way to develop MOF‐derived nanoarrays for flexible energy storage devices.
Association between maternal pregestational diabetes mellitus and spina bifida: A population‐based case–control study, Finland, 2000–2014
Authors: Mowla Sanjida , Gissler Mika , Räisänen Sari , Kancherla Vijaya
Published: November 2019

Background

Maternal pregestational diabetes mellitus (PGDM) is a known risk factor for neural tube defects. We examined the association between maternal PGDM and spina bifida in the offspring using PGDM status from medical records in Finland.

Methods

We conducted a nationally representative, multiregistry, population‐based case–control study in Finland. Cases were included if they were live or stillborn infants and diagnosed with spina bifida and delivered between years 2000 and 2014 in Finland. Controls were Finnish infants without spina bifida or other major structural birth defects and delivered during the same time period as cases. Clinical and demographic data were obtained by linking multiple national health registers and census. Crude and adjusted odds ratios (ORs) and 95% confidence intervals (CI) for PGDM were estimated using logistic regression analysis. Interaction by maternal obesity was examined.

Results

Our study included 181 spina bifida cases (61% isolated) and 876,672 controls. Overall, 2.2% percent of all case, and 0.5% of control mothers, had PGDM during pregnancy. Maternal PGDM was significantly associated with an increased odds of spina bifida (adjusted OR 4.35; 95% CI 1.37, 13.82). A similar association was found in our subanalysis on isolated spina bifida cases (adjusted OR 4.41; 95% CI 1.07, 18.24). There was no significant interaction by maternal obesity.

Conclusions

Maternal PGDM was positively associated with spina bifida in Finland, and maternal obesity did not modify this effect. We lacked information on maternal PGDM for electively terminated and spontaneously aborted cases; results should be interpreted with caution.
Acardius anceps with neck cyst and cleft palate: Three dimensional skeletal computed tomography reconstruction with discussion of the literature
Authors: van Gemert Martin J. C. , Streekstra Geert J. , Vandenbussche Frank P. H. A. , Nikkels Peter G. J. , van den Wijngaard Jeroen P. H. M.
Published: November 2019

Acardiac twinning is a rare anomaly of monochorionic twin pregnancies. Acardiac fetuses lack a functional heart but are passively perfused by arterial blood from their pump co‐twin causing the acardiac body to be hypoxemic. In this report, we present an acardius anceps, therapeutically laser separated from its pump twin at 16 weeks. The healthy pump twin and macerated acardiac body were born at 40 3/7 weeks. A three dimensional (3D) reconstruction was made by CT images, showing cranial bones, spinal column, pelvis and lower extremities but absent arms. A cyst in the neck of the acardiac twin was identified by postnatal sonography; this was also described in four literature cases, and was additionally observed by us in two other acardiac twins. Median cleft palate was identified by oral cavity inspection but undetectable in the reconstruction. In the literature, we found 21 other acardiac anceps twins with a cleft palate. From the two larger published series, with 12 clefts in 21 acardiac anceps twins, a cleft palate occurs in over 50% during acardiac twinning. Our first hypothesis is that acardiac fetuses develop an oral cleft palate when acardiac onset starts prior to 11 weeks, because 11 weeks includes the period of embryonic oral cavity formation, and no cleft occurs when onset starts later than 11 weeks. Our second hypothesis is that cysts and cleft palates are more common in acardiac twins than currently known, likely reflecting that acardiac bodies are hypoxemic and that hypoxia contributes to the development of both cysts and clefts.
Effects of hepatitis B virus infection and antiviral therapy on the clinical prognosis of nasopharyngeal carcinoma
Authors: Weng Jing‐Jin , Wei Jia‐Zhang , Li Min , Lu Jin‐Long , Qin Yang‐Da , Jiang He , Qu Shen‐Hong
Published: November 2019

Purpose

To investigate the clinical characteristics of nasopharyngeal carcinoma (NPC) and a concomitant hepatitis B virus (HBV) infection, as well as the potential effects of HBV infection and antiviral therapy on prognosis.

Methods

We conducted a retrospective chart review of all NPC patients from December 2010 to December 2014. After collecting medical records and conducting follow‐ups on patients, a total of 876 eligible NPC patients were included. For each patient, medical records were reviewed. Factors predictive of outcome were compared using the log‐rank test and Cox regression analysis.

Results

Among the 876 participants, 106 (12.1%) patients were HBV‐infected patients. The hepatitis B surface antigen‐positive [HBsAg(+)] group had a lower CD4+ T cell count than the HBsAg(−) group (P = .048). Among patients with stage I/II NPC, 5‐year overall survival (OS), disease‐free survival (DFS), relapse‐free survival, and distant metastasis‐free survival (DMFS) of the HBsAg(+) group were 82.5%, 70.7%, 87.7%, and 76.6%, respectively, whereas those of the HBsAg(−) group were 91.4%, 86.0%, 93.8%, and 92.1%, respectively. Statistically significant differences in OS, DFS, and DMFS existed between both groups (P = .017, .018, and .004, respectively). The multivariate analysis indicated that HBsAg status and N stage are independent risk factors affecting OS, DFS, and DMFS of NPC patients. A statistically significant difference in 5‐year DMFS existed between the antivirus (90.0%) and no‐antivirus groups (70.0%) (P = .043).

Conclusions

Hepatitis B virus infection is an independent risk factor for early stage NPC, which may be associated with its reduced immune functions compared to the HBsAg(−) group. Anti‐HBV treatment may improve the prognosis of HBV‐infected NPC patients.
Dexmedetomidine prevents desflurane‐induced motor neuron death through NF‐KappaB pathway
Authors: Liu Wenxun , Zhou Xiaohong , Wang Yun , Dong Longcai , Jia Danting , Ye Qingshan
Published: November 2019

Desflurane is one of the commonly used general anaesthetics. Recently, it was reported that desflurane caused neurotoxicity, raising concerns in clinical use. In this study, we found desflurane could affect viability and maturation in motor neurons. Dexmedetomidine, a α2‐adrenergic receptor agonist, could attenuate the effect of desflurane on motor neurons. This process was mediated by NF‐KappaB signalling. Interestingly, we also found that dexmedetomidine could recover the lesion in motor function and memory impaired by desflurane. Collectively, our results showed the neurotoxic effect of desflurane in motor neurons. More importantly, this process was alleviated by dexmedetomidine, potentially showing its application in protecting motor neuron from neurotoxic agents.

Significance of the study: This work provides the evidence to support the protective role of dexmedetomidine in desflurane‐induced motor neuron death. Since desflurane is a widely used anaesthetic in surgery and leads to neuron death, the neuroprotective effect of dexmedetomidine holds promising clinical application.
Long noncoding RNA SNHG16 promotes the tumorigenicity of cervical cancer cells by recruiting transcriptional factor SPI1 to upregulate PARP9
Authors: Tao Ling , Wang Xiyan , Zhou Qi
Published: November 2019

Long noncoding RNA (lncRNA) small nucleolar RNA host gene 16 (SNHG16) has been linked to multiple cancers including breast, ovarian, bladder, and colorectal cancer. However, the role of SNHG16 in cervical cancer is unclear. Here, quantitative analysis of SNHG16 and PARP9 expression levels in cervical cancer tissues and cell lines indicated that both SNHG16 and PARP9 were highly expressed compared with controls. Using the dual‐luciferase reporter gene assay, RNA immunoprecipitation, chromatin immunoprecipitation, we were able to determine that SNHG16 recruited SPI1 protein to promote transcription of PARP9 to upregulate its transcription in cervical cancer cells. After ectopic expression and knockdown experiments were conducted, it was observed that silencing SNHG16 inhibited PARP9 expression, proliferation, and invasion of cervical cancer cells, which was rescued by co‐transfection of SNHG16 silencing and PARP9 overexpression. Moreover, in vivo experimental results showed that silencing SNHG16 reduced the expression of PARP9 and suppressed tumor growth. These data indicate that SNHG16 recruits SPI1 to upregulate PARP9, which promotes the tumorigenicity of cervical cancer cells. The regulation of their expression might provide a new direction for treating cervical cancer.
Microwave‐Assisted Synthesis of Copper‐Based Electrocatalysts for Converting Carbon Dioxide to Tunable Syngas
Authors: Zeng Juqin , Bejtka Katarzyna , Di Martino Gaia , Sacco Adriano , Castellino Micaela , Re Fiorentin Michele , Risplendi Francesca , Farkhondehfal M. Amin , Hernández Simelys , Cicero Giancarlo , Pirri Candido F. , Chiodoni Angelica
Published: November 2019

Copper (Cu)‐based materials for efficient CO2 conversion to adjustable syngas are reported. We employ an energy‐efficient microwave‐assisted route to synthesize copper/copper oxides with different structures and morphologies. The initial oxidation state of the copper on the surface significantly influences the performance of the materials in the CO2 reduction reaction (CO2RR). On the as‐prepared material surface, a high content of Cu2O improves the selectivity toward CO and consequently the catalyzed CO2RR produce a syngas with a low H2/CO ratio, while the CuO performs poorly. In particular, Cu2O particles with a cubic shape show the highest selectivity for the CO formation. The superior catalytic activity of the Cu2O cubes for the CO2RR is attributed to the surface roughening under potential, which offers abundant electrochemically active sites and facilitates mass transport.
Synthesis of a Novel Petal‐Shaped Biomass‐Derived Carbon Material with Controlled Pore Structure and Nitrogen Content for Use in Supercapacitors
Authors: Zhang Luming , Zhang Xiaohua , Tian Xin , Wang Qun , Li Hengxiang , Jin Li'e , Cao Qing
Published: November 2019

Controllably adjusting the porosity and the heteroatom content has become extremely attractive for increasing the energy storage capacity of carbon materials. In this work, petal‐shaped N‐doping carbon materials with super‐high specific surface area (2752 m2 g−1) and enriched micropores (90.1 %) have been synthesized by using renewable spikes of terminalia catappa as raw materials via a facile and feasible method. The results confirmed that the prepared N‐doping carbon material exhibits outstanding electrochemical performances. The specific capacitance reaches up to 503 F g−1 at 0.5 A g−1 and 306 F g−1 at 50 A g−1; cycling stability maintains 100.2 % after 10000 cycles. The fabricated symmetric supercapacitor shows an attractive energy density of 30.5 W h Kg−1 at a power density of 492.4 W Kg−1 in 1 M Na2SO4 electrolyte. Moreover, this study opens up a new way to enhance the micropore proportion and N content of carbon materials and displays the unique petal‐shaped nano‐flakes morphology that can maximally expose the surface of carbon materials.
Flexible Molecular Precursors for Selective Decomposition to Nickel Sulfide or Nickel Phosphide for Water Splitting and Supercapacitance
Authors: Ayom Gwaza E. , Khan Malik D. , Ingsel Tenzin , Lin Wang , Gupta Ram K. , Zamisa Sizwe J. , van Zyl Werner E. , Revaprasadu Neerish
Published: November 2019

Herein, the synthesis of three nickel(II) dithiophosphonate complexes of the type [Ni{S2P(OR)(4‐C6H4OMe)}2] [R=H (1), C3H7 (2)] and [Ni{S2P(OR)(4‐C6H4OEt}2] [R=(C6H5)2CH (3)] is described; their structures were confirmed by single‐crystal X‐ray studies. These complexes were subjected to surfactant/solvent reactions at 300 °C for one hour as flexible molecular precursors to prepare either nickel sulfide or nickel phosphide particles. The decomposition of complex 2 in tri‐octylphosphine oxide/1‐octadecene (TOPO/ODE), TOPO/tri‐n‐octylphosphine (TOP), hexadecylamine (HDA)/TOP, and HDA/ODE yielded hexagonal NiS, Ni2P, Ni5P4, and rhombohedral NiS, respectively. Similarly, the decomposition of complex 1 in TOPO/TOP and HDA/TOP yielded hexagonal Ni2P and Ni5P4, respectively, and that of complex 3 in similar solvents led to hexagonal Ni5P4, with TOP as the likely phosphorus provider. Hexagonal NiS was prepared from the solvent‐less decomposition of complexes 1 and 2 at 400 °C. NiS (rhom) had the best specific supercapacitance of 2304 F g−1 at a scan rate of 2 mV s−1 followed by 1672 F g−1 of Ni2P (hex). Similarly, NiS (rhom) and Ni2P (hex) showed the highest power and energy densities of 7.4 kW kg−1 and 54.16 W kg−1 as well as 6.3 kW kg−1 and 44.7 W kg−1, respectively. Ni5P4 (hex) had the lowest recorded overpotential of 350 mV at a current density of 50 mA cm−2 among the samples tested for the oxygen evolution reaction (OER). NiS (hex) and Ni5P4 (hex) had the lowest overpotentials of 231 and 235 mV to achieve a current density of 50 mA cm−2, respectively, in hydrogen evolution reaction (HER) examinations.
Two π‐Electrons Make the Difference: From BODIPY to BODIIM Switchable Fluorescent Dyes
Authors: Dolati Hadi , Haufe Lisa C. , Denker Lars , Lorbach Andreas , Grotjahn Robin , Hörner Gerald , Frank René
Published: November 2019

(aza‐)BODIPY dyes (boron dipyrromethene dyes) are well‐established fluorophores due to their large quantum yields, stability, and diversity, which led to promising applications including imaging techniques, sensors, organic (opto)electronic materials, or biomedical applications. Although the control of the optical properties in (aza‐)BODIPY dyes by peripheral functional groups is well studied, we herein present a novel approach to modify the 12 π‐electron core of the dipyrromethene scaffold. The replacement of two carbon atoms in the β‐position of a BODIPY dye by two nitrogen atoms afforded a 14 π‐electron system, which was termed BODIIM (boron diimidazolylmethene) in systematic analogy to the BODIPY dyes. Remarkably, the BODIIM dye was obtained with a BH2‐rigidifying entity, which is currently elusive and highly sought after for the BODIPY dye class. DFT‐Calculations confirm the [12+2] π‐electron relationship between BODIPY and BODIIM and reveal a strong shape correlation between LUMO in the BODIPY and the HOMO of the BODIIM. The modification of the π‐system leads to a dramatic shift of the optical properties, of which the fluorescent emission is most noteworthy and occurs at much larger Stokes shift, that is, ≈500 cm−1 in BODIPY versus >4170 cm−1 in BODIIM system in all solvents investigated. Nucleophilic reactivity was found at the meso‐carbon atom in the formation of stable borane adducts with a significant shift of the fluorescent emission, and this behavior contrasts the reactivity of conventional BODIPY systems. In addition, the reverse decomplexation of the borane adducts was demonstrated in reactions with a representative N‐heterocyclic carbene to retain the strongly fluorescent BODIIM compound, which suggests applications as fully reversible fluorescent switch.
Repurposing of FDA‐Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D‐QSAR/Docking Approach†
Authors: Floresta Giuseppe , Patamia Vincenzo , Gentile Davide , Molteni Franco , Santamato Andrea , Rescifina Antonio , Vecchio Michele
Published: November 2019

Botulinum neurotoxin (BoNT) is widely used for the treatment of spasticity, focal dystonia, chronic migraine, facial hemispasm, and facial aesthetic treatments. Generally, treatment with botulinum toxin is a safe procedure when conducted by clinicians with expertise, and local side effects are rare and transient. However, occasionally adverse effects can occur due to the spread of the drug to nontargeted muscles and organs, producing dry mouth, fatigue, and flu‐like symptoms, up to signs of systemic botulism, which appears to be more frequent in children treated for spasticity than in adults. In silico 3D‐QSAR and molecular docking studies were performed to build a structure‐based model on selected potent known botulinum neurotoxin type A inhibitors; this was used to screen the US Food and Drug Administration (FDA) database. Thirty molecules were identified as possible light‐chain BoNT/A inhibitors. In this study, we applied a well‐established ligand‐ and structure‐based methodology for the identification of hit compounds among a database of FDA‐approved drugs. The identification of budesonide, protirelin, and ciclesonide followed by other compounds can be considered a starting point for investigations of selected compounds that could bypass much of the time and costs involved in the drug approval process.
Fertility‐sparing surgery and survival among reproductive‐age women with epithelial ovarian cancer in 2 cancer registries
Authors: Crafton Sarah M. , Cohn David E. , Llamocca Elyse N. , Louden Elaine , Rhoades Jennifer , Felix Ashley S.
Published: November 2019

Background

This study examined predictors of fertility‐sparing surgery (FSS) among reproductive‐age women diagnosed with epithelial ovarian cancer (EOC). In addition, relationships between FSS and survival were assessed in models stratified by tumor characteristics.

Methods

The Surveillance, Epidemiology, and End Results (SEER) program and the National Cancer Database (NCDB) were queried for women 44 years old or younger with a primary EOC. FSS included unilateral salpingo‐oophorectomy and uterine preservation, whereas surgeries including bilateral salpingo‐oophorectomy and hysterectomy were categorized as non‐FSS. Logistic regression was used to estimate multivariable‐adjusted odds ratios and 95% confidence intervals (CIs) for associations between clinical characteristics (eg, age at diagnosis and race) and FSS odds. Multivariable Cox regression was used to estimate hazard ratios (HRs) and 95% CIs for FSS and overall survival in subgroups defined by stage and grade or by stage and histology. Analyses were stratified by database (SEER vs NCDB).

Results

This analysis included 9017 women (SEER, n = 3932; NCDB, n = 5085) with EOC diagnosed between the ages of 15 and 44 years. In both cohorts, factors associated with significantly higher FSS odds included a younger age, a more recent ovarian cancer diagnosis, and no adjuvant chemotherapy. FSS was significantly associated with lower overall survival among women with stage II to IV, serous EOC (SEER HR, 1.61; 95% CI, 1.22‐2.12). Significant associations between FSS and survival were not observed in other subgroups defined by stage and grade or by stage and histology.

Conclusions

FSS appears to be safe for certain women with EOC but was related to poor survival among women with advanced‐stage, serous EOC. Confirmatory studies with information on fertility intentions are needed.
Stem cell transplantation from a haploidentical donor versus a genoidentical sister for adult male patients with acute myelogenous leukemia in first remission: A retrospective study from the acute leukemia working party of the European Society for Blood and Marrow Transplantation
Authors: Gorin Norbert‐Claude , Labopin Myriam , Blaise Didier , de Groot Marco , Socié Gerard , Bourhis Jean Henri , Ciceri Fabio , Polge Emmanuelle , Nagler Arnon , Mohty Mohamad
Published: November 2019

Background

In adult patients with acute myeloid leukemia (AML), a matched sibling donor (MSD) is considered the first choice for an allogeneic transplantation. However, a female donor for a male recipient is a poor prognostic factor. The authors compared haploidentical (HAPLO) donors with female MSDs.

Methods

In total, 834 men underwent allogenic transplantation from a female MSD, and 232 men underwent allogenic transplantation from a HAPLO donor. Of these, 86% of HAPLO recipients and 3% of MSD recipients received graft‐versus‐host disease (GVHD) prophylaxis posttransplantation with high‐dose cyclophosphamide. A significant qualitative interaction was observed between donor type and cytogenetics, Therefore, the analyses were stratified on cytogenetics.

Results

Of the men with intermediate‐risk AML, 638 received transplantation from a female MSD, and 160 received transplantation from a HAPLO donor. In multivariate analysis, poor risk factors were a HAPLO donor versus an MSD for nonrelapse mortality (hazard ratio [HR], 1.7;P = .02) and patient age for nonrelapse mortality and overall survival (HR, 1.22 [P = .02] and 1.15 [P = .02], respectively). HAPLO transplantation resulted in less chronic GVHD (HR, 0.43;P < 10−4) but lower leukemia‐free survival (HR, 1.7;P = .04). The GVHD/relapse‐free survival (GRFS) was not different. Of the men with high‐risk AML, 196 received transplantation from a female MSD, and 72 received transplantation from a HAPLO donor. By multivariate analysis, HAPLO recipients had a lower incidence of relapse (HR, 0.40;P = .004), better leukemia‐free survival (HR, 0.46;P = .003), better overall survival (HR, 0.43;P = .003), and better GRFS (HR, 0.54;P = .006).

Conclusions

In men who have intermediate‐risk AML, allogenic transplantation from a sister MSD or a HAPLO donor produces similar GRFS. However, in men who have high‐risk AML, a HAPLO donor combined with prophylactic high‐dose cyclophosphamide posttransplantation may be a better choice.
Why many oncologists fail to share accurate prognoses: They care deeply for their patients
Authors: Abernethy Eli Rowe , Campbell Gavin Paul , Pentz Rebecca D.
Published: November 2019

Although most patients with cancer wish to know their prognosis, oncologists often fail to initiate timely and repeated discussions of prognosis with their patients. This gap, rooted in physicians' deep care and optimism for their patients, may be narrowed by 3 complementary approaches: asking simple questions to open up the discussion, assessing patient preferences, and using prognostic tools that can help with the accuracy of prognoses.
A new finite‐element shell model for arterial growth and remodeling after stent implantation
Authors: Laubrie Joan D. , Mousavi Jamaleddin S. , Avril Stéphane
Published: November 2019

The goal of this paper is to study computationally how blood vessels adapt when they are exposed to a mechanobiological insult, namely, a sudden change of their biomechanical conditions such as proteolytic injuries or implantation. Adaptation occurs through growth and remodeling (G&R), consisting of mass production or removal of structural proteins, such as collagen, until restoring the initial homeostatic biomechanical conditions. In some circumstances, the initial conditions can never be recovered, and arteries evolve towards unstable pathological conditions, such as aneurysms, which are responsible for significant morbidity and mortality. Therefore, computational predictions of G&R under different circumstances can be helpful in understanding fundamentally how arterial pathologies progress. For that, we have developed a low‐cost open‐source finite‐element 2D axisymmetric shell model (FEM) of the arterial wall. The constitutive equations for static equilibrium used to model the stress‐strain behavior and the G&R response are expressed within the homogenized constrained mixture theory. The originality is to integrate the layer‐specific behavior of both arterial layers (media and adventitia) into the model. Considering different mechanobiological insults, our results show that the resulting arterial dilatation is strongly correlated with the media thickness. The adaptation to stent implantation is particularly interesting. For large stent oversizing ratios, the artery cannot recover from the mechanobiological insult and dilates forever, whereas dilatation stabilizes after a transient period for more moderate oversizing ratios. We also show that stent implantation induces a different response in an aneurysm or in a healthy artery, the latter yielding more unstable G&R. Finally, our G&R model can efficiently predict, with very low computational cost, fundamental aspects of arterial adaptation induced by clinical procedures.
Local Boundedness and Harnack Inequality for Solutions of Linear Nonuniformly Elliptic Equations
Authors: Bella Peter , Schäffner Mathias
Published: November 2019

We study local regularity properties for solutions of linear, nonuniformly elliptic equations. Assuming certain integrability conditions on the coefficient field, we prove local boundedness and Harnack inequality. The assumed integrability assumptions are essentially sharp and improve upon classical results by Trudinger. We then apply the deterministic regularity results to the corrector equation in stochastic homogenization and establish sublinearity of the corrector. © 2019 the Authors. Communications on Pure and Applied Mathematics is published by the Courant Institute of Mathematical Sciences and Wiley Periodicals, Inc.
Extramedullary hematopoiesis: Clinical and cytological features
Authors: Kapatia Gargi , Kaur Amarjot , Rastogi Pulkit , Sreedharanunni Sreejesh , Gupta Parikshaa , Rohilla Manish , Gupta Nalini , Srinivasan Radhika , Rajwanshi Arvind , Dey Pranab
Published: November 2019

Introduction

Hematopoiesis usually occurs in bone marrow in adults and when it occurs at sites except for bone marrow, it is termed as extramedullary hematopoiesis (EMH). It is usually found in organs, which are vigorously involved in fetal hematopoiesis, including liver, spleen, and lymph nodes. FNAC is easy and rapid method to diagnose EMH.

Aim

To study the spectrum of extramedullary hematopoiesis (EMH) on fine‐needle aspiration cytology (FNAC).

Material and methods

A total of 10 patients who were diagnosed with EMH on FNAC were studied over a period of 5.5 years. Smears were stained with May Grunwald Giemsa (MGG) and Hematoxylin and Eosin (H and E). The detailed clinical and cytomorphological spectrum of EMH were studied.

Results

The mean age of the patient was 42.5 years, with age ranging between 14 and 78 years. The commonest site of EMH was lymph node (n = 8, 80%) followed by paravertebral area (n = 2, 20%). Clinical diagnosis was EMH in just one case. Mean hemoglobin of the patient was 7.9 g/L. Bone marrow examination was available in 6 cases. On FNAC, we saw variable mixture of bone marrow elements including megakaryocytes (2.6%, 0‐6%), myelocytes and metamyelocytes (29.2%, 18‐33%), erythroid precursors (3.2%, 0‐7%), polymorphs (21.7%, 10‐36%), blasts (1.1%, 0‐4%), eosinophils (2.5%, 0‐7%), and lymphocytes (39.7%, 21‐60%).

Conclusion

Cytopathologists must be alert of the clinical as well as cytological spectrum of extramedullary hematopoiesis for greater accuracy in diagnosis and to escape pitfalls in its diagnosis.
Improving conservation strategies of raptors through landscape ecology analysis: The case of the endemic Cuban Black Hawk
Authors: Ferrer‐Sánchez Yarelys , Rodríguez‐Estrella Ricardo , Martínez‐Morales Miguel Ángel
Published: November 2019

Raptor species conservation should consider a landscape perspective in order to include habitat requirements associated to large home ranges around nesting sites. Landscape analysis can help to better understand raptor habitat requirements and the degree of tolerance to habitat changes at different scales.

We used a landscape ecology perspective to determine the nesting habitat selection of endemic and endangered Cuban Black Hawk, and using ecological niche modeling, we obtained the potential distribution of nests to evaluate the effectiveness of protected areas (PAs) for raptor conservation.

Nesting habitat selection was related to breeding success at a landscape scale using data from 27 different nesting sites during 2012–2013 breeding seasons. The potential nesting areas distribution was compared with current officially PAs design in the central region of Cuba.

All nests were located in mangrove swamp. Pairs chose nesting sites with low soil–vegetation moisture and low soil reflectance. At the landscape level, they selected low shape complexity of patches and few patches of coastal vegetation around nesting sites which contained similar mangrove patch size and shape. The potential distribution of nests increased close to the coastline. The model predicted a suitable narrow area of 556 km2, and the most favorable nesting area represented 2% of this total. 33% of nests were located within officially natural protected areas while 27% were close to or inside highly threatened areas. A 16% of high to medium suitable nesting habitat overlaps with urban areas. Currently, PAs contain 23% of the nesting area distribution.

Our study shows landscape ecology and nest‐site selection approach is crucial to evaluate the persistence of Cuban Black Hawk, as environmental variables and human activity can be related to its productivity. This approach can be applied in conservation strategies of island raptors.
Bacterial communities’ taxonomic and functional turnovers both accurately predict marine benthic ecological quality status
Authors: Cordier Tristan
Published: November 2019

The acquisition of biodiversity data is of prime importance to perform an efficient ecosystem management and ensure the sustainable provisioning of marine ecosystem services. Recent efforts are enforcing environmental genomic methodologies, especially environmental DNA (eDNA) metabarcoding, as a way forward to document biodiversity in a faster and cost‐effective way. Currently implemented biomonitoring regulations, such as the Marine Strategy Framework Directive (MSFD), rely on benthic macroinvertebrate indicator taxa to compute biotic indices (BIs) values and derive an ecological quality assessment. Recent work demonstrated that targeting those macroinvertebrates remains challenging, because of various technical and biological biases. Instead, bacterial communities’ profiles depicted by eDNA metabarcoding data have been shown to mirror macroinvertebrate communities’ variation and can be used to accurately predict the BI values using supervised machine learning (SML). Other studies showed that functional profiles, as obtained by metagenomic or metatranscriptomic approaches, vary along pollution gradient in aquatic ecosystems, demonstrating their potential as powerful indicators. Here, a 16S bacterial dataset collected in the vicinity of aquaculture sites, impacted by organic enrichment of the sea bottom, was used to generate two set of features consisting in either OTU profiles (taxonomic turnover) or predicted gene content using the tax4fun tool (functional turnover) that uses taxonomic annotations to infer functional capabilities based on evolutionary models. Both datasets were leading to accurate predictive models, with comparative performance. These results indicate that both taxonomic and functional turnovers of bacterial communities encompass powerful indicators that could be leveraged by marine biomonitoring programs.