bluuebunny/crossref_metadata_2025 huggingface dataset:
Liquid‐Phase Assisted Engineering of Highly Strong SiC Composite Reinforced by Multiwalled Carbon Nanotubes
Authors: Fan Yuchi , Song Erhong , Mustafa Tufail , Liu Ruicong , Qiu Pengpeng , Zhou Weiwei , Zhou Zhenxing , Kawasaki Akira , Shirasu Keiichi , Hashida Toshiyuki , Liu Jianjun , Wang Lianjun , Jiang Wan , Luo Wei
Published: September 2020

Despite the ultrahigh intrinsic strength of multiwalled carbon nanotube (MWCNT), the strengthening effect on ceramic matrix composite remains far from expectation mainly due to the weak load transfer between the reinforcement and ceramic matrix. With the assistance of the in situ pullout test, it is revealed that the liquid‐phase sintering (LPS) can serve as a novel strategy to achieve effective load transfer in MWCNT reinforced ceramic matrix composites. The YAlO3 formed liquid phase during spark plasma sintering of SiC composite greatly facilitates radical elastic deformation of MWCNT, leading to highly increased interfacial shear strength (IFSS) as well as interlayer shear resistance (ISR) of nested walls. The liquid phase with superior wettability can even penetrate into the defects of MWCNT, which further increases the ISR of MWCNT. Moreover, the first‐principles calculation indicates that the oxygen terminated YAlO3 phase displays much stronger bonding compared with SiC matrix, which is also responsible for the large IFSS in the composite. As a result, as high as 30% improvement of bending strength is achieved in the composite with only 3 wt% MWCNT in comparison to the monolithic ceramic, manifesting the unprecedented strengthening effect of MWCNT assisted by LPS.
Polymicrogyria is Associated With Pathogenic Variants in PTEN
Authors: Shao Diane D. , Achkar Christelle M. , Lai Abbe , Srivastava Siddharth , Doan Ryan N. , Rodan Lance H. , Chen Allen Y. ,   the Brain Development Study Group, Poduri Annapurna , Yang Edward , Walsh Christopher A.
Published: September 2020

Objective

Congenital structural brain malformations have been described in patients with pathogenic phosphatase and tensin homologue (PTEN) variants, but the frequency of cortical malformations in patients with PTEN variants and their impact on clinical phenotype are not well understood. Our goal was to systematically characterize brain malformations in patients with PTEN variants and assess the relevance of their brain malformations to clinical presentation.

Methods

We systematically searched a local radiology database for patients with PTEN variants who had available brain magnetic resonance imaging (MRI). The MRI scans were reviewed systematically for cortical abnormalities. We reviewed electroencephalogram (EEG) data and evaluated the electronic medical record for evidence of epilepsy and developmental delay.

Results

In total, we identified 22 patients with PTEN pathogenic variants for which brain MRIs were available (age range 0.4–17 years). Twelve among these 22 patients (54%) had polymicrogyria (PMG). Variants associated with PMG or atypical gyration encoded regions of the phosphatase or C2 domains of PTEN. Interestingly, epilepsy was present in only 2 of the 12 patients with PMG. We found a trend toward higher rates of global developmental delay (GDD), intellectual disability (ID), and motor delay in individuals with cortical abnormalities, although cohort size limited statistical significance.

Interpretation

Malformations of cortical development, PMG in particular, represent an under‐recognized phenotype associated with PTEN pathogenic variants and may have an association with cognitive and motor delays. Epilepsy was infrequent compared to the previously reported high risk of epilepsy in patients with PMG. ANN NEUROL 2020;88:1153–1164
Synthese von Vinyl‐verknüpften zweidimensionalen konjugierten Polymeren via Horner‐Wadsworth‐Emmons‐Reaktion
Authors: Pastoetter Dominik L. , Xu Shunqi , Borrelli Mino , Addicoat Matthew , Biswal Bishnu P. , Paasch Silvia , Dianat Arezoo , Thomas Heidi , Berger Reinhard , Reineke Sebastian , Brunner Eike , Cuniberti Gianaurelio , Richter Marcus , Feng Xinliang
Published: September 2020

In dieser Arbeit berichten wir von der ersten Synthese von vinyl‐verknüpften 2D CPs, nämlich 2D‐Poly(phenylenchinoxalinvinyl)en2D‐PPQV1und2D‐PPQV2, mit der Horner–Wadsworth–Emmons‐ (HWE) Reaktion von C2‐symmetrischem 1,4‐Bis(diethylphosphonomethyl)benzol oder 4,4′‐Bis(diethylphosphonomethyl)biphenyl mit C3‐symmetrischem 2,3,8,9,14,15‐hexa(4‐formylphenyl)diquinoxalino[2,3‐a: 2′,3′‐c]phenazin als Monomeren. Dichtefunktionaltheorie (DFT)‐basierende Simulationen klären die entscheidende Rolle der anfänglichen reversiblen C−C‐Einfachbindungsbildung für die Synthese kristalliner 2D CPs auf. Pulver‐Röntgenbeugungsstudien (PXRD) und Stickstoff‐Adsorptions‐Desorptionsmessungen beweisen die Bildung der vorhergesagten kristallinen, zweiporigen Strukturen mit einer Oberfläche von bis zu 440 m2 g−1. Interessanterweise zeigt der Vergleich der optoelektronischen Eigenschaften der synthetisierten2D‐PPQV1(Eg=2.2 eV) und2D‐PPQV2(Eg=2.2 eV) mit denen von Cyano‐Vinyl‐verknüpftem2D‐CN‐PPQV1(Eg=2.4 eV), welches durch die Knoevenagel‐Reaktion synthetisiert wurde, und des Imin‐verknüpften 2D‐COF‐Analogs (2D‐C=N‐PPQV1, Eg=2.3 eV), die höhere Konjugation der vinyl‐verknüpften 2D CPs durch die HWE‐Reaktion.
Oganesson: Ein Edelgas, das weder edel noch ein Gas ist
Authors: Smits Odile R. , Mewes Jan‐Michael , Jerabek Paul , Schwerdtfeger Peter
Published: September 2020

Oganesson (Og) stellt den letzten Eintrag ins Periodensystem dar. Es vervollständigt damit die siebte Periode sowie die Gruppe 18 der Edelgase. Bisher konnten lediglich fünf Og‐Atome in aufwändigen Teilchenbeschleunigerexperimenten erzeugt werden. Aufgrund der außerordentlich kurzen Halbwertszeit von 0.
 ms für
Og[1] können Aussagen bezüglich chemischer und physikalischer Eigenschaften nur mittels relativistischer Quantentheorien gemacht werden. In dieser Arbeit verwenden wir zwei komplementäre Ansätze, um den Schmelz‐ und Siedepunkt dieses superschweren Elements akkurat zu bestimmen: Einerseits Simulationen auf Grundlage von Parallel Tempering Monte‐Carlo (PTMC) und andererseits auf First‐Principles basierender Thermodynamischer Integration (TI), die beide mithilfe von hoch genauen Coupled‐Cluster‐Rechnungen kalibriert worden sind. In hervorragender Übereinstimmung miteinander sagen beide Methoden voraus, dass Og unter Normalbedingungen ein Feststoff mit einem Schmelzpunkt von ≈325 K ist. Ohne Berücksichtigung der relativistischen Effekte wäre Og mit einem Schmelzpunkt von 220 K gasförmig, wie es für ein typisches Edelgaselement zu erwarten wäre. Demnach verschieben relativistische Effekte den Fest‐Flüssig‐Phasenübergang um etwa 100 K.
Synthesis of Vinylene‐Linked Two‐Dimensional Conjugated Polymers via the Horner–Wadsworth–Emmons Reaction
Authors: Pastoetter Dominik L. , Xu Shunqi , Borrelli Mino , Addicoat Matthew , Biswal Bishnu P. , Paasch Silvia , Dianat Arezoo , Thomas Heidi , Berger Reinhard , Reineke Sebastian , Brunner Eike , Cuniberti Gianaurelio , Richter Marcus , Feng Xinliang
Published: September 2020

In this work, we demonstrate the first synthesis of vinylene‐linked 2D CPs, namely, 2D poly(phenylenequinoxalinevinylene)s2D‐PPQV1and2D‐PPQV2, via the Horner–Wadsworth–Emmons (HWE) reaction ofC2‐symmetric 1,4‐bis(diethylphosphonomethyl)benzene or 4,4′‐bis(diethylphosphonomethyl)biphenyl withC3‐symmetric 2,3,8,9,14,15‐hexa(4‐formylphenyl)diquinoxalino[2,3‐a:2′,3′‐c]phenazine as monomers. Density functional theory (DFT) simulations unveil the crucial role of the initial reversible C−C single bond formation for the synthesis of crystalline 2D CPs. Powder X‐ray diffraction (PXRD) studies and nitrogen adsorption‐desorption measurements demonstrate the formation of proclaimed crystalline, dual‐pore structures with surface areas of up to 440 m2 g−1. More importantly, the optoelectronic properties of the obtained2D‐PPQV1(Eg=2.2 eV) and2D‐PPQV2(Eg=2.2 eV) are compared with those of cyano‐vinylene‐linked2D‐CN‐PPQV1(Eg=2.4 eV) produced by the Knoevenagel reaction and imine‐linked 2D COF analog (2D‐C=N‐PPQV1, Eg=2.3 eV), unambiguously proving the superior conjugation of the vinylene‐linked 2D CPs using the HWE reaction.
Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
Authors: Smits Odile R. , Mewes Jan‐Michael , Jerabek Paul , Schwerdtfeger Peter
Published: September 2020

Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half‐life for
Og of 0.
 ms.[1] With such a short lifetime, chemical and physical properties inevitably have to come from accurate relativistic quantum theory. Here, we employ two complementary computational approaches, namely parallel tempering Monte‐Carlo (PTMC) simulations and first‐principles thermodynamic integration (TI), both calibrated against a highly accurate coupled‐cluster reference to pin‐down the melting and boiling points of this super‐heavy element. In excellent agreement, these approaches show Og to be a solid at ambient conditions with a melting point of ≈325 K. In contrast, calculations in the nonrelativistic limit reveal a melting point for Og of 220 K, suggesting a gaseous state as expected for a typical noble gas element. Accordingly, relativistic effects shift the solid‐to‐liquid phase transition by about 100 K.
Methoxy polyethylene glycol–cholesterol modified soy lecithin liposomes for poorlywater‐solubleanticancer drug delivery
Authors: Le Ngoc Thuy Trang , Nguyen Dinh Tien Dung , Nguyen Ngoc Hoi , Nguyen Cuu Khoa , Nguyen Dai Hai
Published: September 2020

Soy lecithin liposomes (SLP) were prepared and partially surface modified with methoxy polyethylene glycol‐cholesterol conjugate (mPEG‐Chol) to improve its poorly‐soluble‐water‐anticancer‐drugs delivery efficiency. Paclitaxel (PTX) was used as the model drug and the PTX/SLP@mPEG was successfully developed with the optimal mass ratio of mPEG‐Chol determined at 4% in the SLP@mPEG formulation. The optimal SLP@mPEG formulation had a particle size range of 161.80 ± 1.51 nm and a negative surface charge of −54.30 ± 1.40 mV. Besides, a sustained drug release profile of 72 h and an encapsulation efficiency of 87.48 ± 0.70% was recorded. Moreover, in vitro cytotoxicity assays demonstrated that SLP@mPEG is nontoxic and cytocompatible. Overall, these obtained results provide insights into the potential of SLP@mPEG as a platform for the development of more effective therapies against cancers.
Synthesis and antimicrobial evaluation of new nitric oxide‐donating fluoroquinolone/oxime hybrids
Authors: Aziz Hossameldin A. , Moustafa Gamal A. I. , Abuo‐Rahma Gamal El‐Din A. , Rabea Safwat M. , Hauk Glenn , Krishna Vagolu S. , Sriram Dharmarajan , Berger James M. , Abbas Samar H.
Published: September 2020

A new series of nitric oxide‐donating fluoroquinolone/oximes was prepared in this study. The nitric oxide release from the prepared compounds was measured using a modified Griess colorimetric method. The antitubercular evaluation of the synthesized compounds indicated that ketone derivatives 2b and 2e and oximes 3b and 3d exhibited somewhat higher activity than their respective parent fluoroquinolones. Mycobacterial DNA cleavage studies and molecular modeling of Mycobacterium tuberculosis DNA gyrase were pursued to explain the observed bioactivity. More important, antibacterial evaluation showed that oximes 3c–e are highly potent against Klebsiella pneumoniae, with minimum inhibitory concentration (MIC) values of 0.06, 0.08, and 0.034 µM, respectively, whereas ketone 2c and oxime 4c are more active against Staphylococcus aureus than ciprofloxacin (MIC values: 0.7, 0.38, and 1.6 µM, respectively). Notably, the antipseudomonal activities of compounds 2a and 4c were much higher than those of their respective parent fluoroquinolones.
Ultralow‐Molecular‐Weight Stimuli‐Responsive and Multifunctional Supramolecular Gels Based on Monomers and Trimers of Hydrazides
Authors: Wu Dehua , Song Jintong , Qu Lang , Zhou Weilan , Wang Lei , Zhou Xiangge , Xiang Haifeng
Published: September 2020

The simpler, the better. A series of simple, neutral and ultralow‐molecular‐weight (MW: 140–200) hydrazide‐derived supramolecular gelators have been designed and synthesized in two straightforward steps. For non‐conjugated cyclohexane‐derived hydrazides, their monomers can self‐assemble to form gels through intermolecular hydrogen bonds and dipole‐dipole interactions. Significantly, conjugated phthalhydrazide can self‐aggregate into planar and circular trimers through intermolecular hydrogen bonds and then self‐assemble to form gels through intermolecular π–π stacking interactions. It is interesting that these simple gelators exhibit unusual properties, such as self‐healing, multi‐response fluorescence, and visual and selective recognition of chiral (R)/(S)‐1,1′‐binaphthalene‐2,2′‐diamine and S2− through much different times of gel re‐formation and blue‐green color change, respectively. These results underline the importance of supramolecular gels and extend the scope of supramolecular gelators.
Examining the Temporal Limits of Enhanced Visual Feature Detection in Children With Autism
Authors: Kopec Justin , Hagmann Carl , Shea Nicole , Prawl Alyssa , Batkin Daniel , Russo Natalie
Published: September 2020

The enhanced perceptual processing of visual features in children with autism spectrum disorder (ASD) is supported by an abundance of evidence in the spatial domain, with less robust evidence regarding whether this extends to information presented across time. The current study aimed to replicate and extend previous work finding that children with an ASD demonstrated enhanced perceptual accuracy in detecting feature‐based (but not categorically defined) targets in time, when these were presented quickly, at a stimulus onset asynchrony (SOA) of 50 ms per item. Specifically, we extend the range of SOAs to examine the temporal boundaries of this enhanced accuracy and examine whether there is a relationship between ASD‐related traits and detection accuracy on temporal visual search tasks. Individuals with autism perceived feature‐based targets with statistically higher accuracy than their typically developing peers between SOAs of 39 and 65 ms and were numerically faster at all SOAs. No group differences were noted for category‐based task accuracy. Our results also demonstrated that ASD‐related traits measured by the autism spectrum quotient were positively correlated with accuracy on the feature‐based task. Overall, results suggest that accurate visual perception of features (particularly color) is enhanced in children with ASD across time.

Lay Summary

Our results suggest that children with autism are able to process visual features, such as color, more accurately than typically developing children, even when these are presented very rapidly. Accuracy was higher in children with higher levels of autism‐related traits and symptoms. Our findings suggest that more accurate visual perception exists not only across space in children with autism, as much of the existing literature demonstrates, but also over time.Autism Res2020, 13: 1561–1572. © 2020 International Society for Autism Research, Wiley Periodicals, Inc.
Eye Movements of Spatial Working Memory Encoding in Children with and without Autism: Chunking Processing and Reference Preference
Authors: Li Songze , Hu Jinsheng , Chang Ruosong , Li Qi , Wan Peng , Liu Shuqing
Published: September 2020

Individuals with autism spectrum disorder (ASD) experience spatial working memory deficits and show different encoding mechanisms from typical developing (TD) peers. To effectively describe the encoding strategies of those with ASD and highlight their characteristics in cognitive processing, we adopted improved change detection tasks and added eye‐movement indicators to investigate the chunking function and reference preference of children with and without ASD. The current study included 20 participants with ASD aged 8–16 and 20 TD children matched for age, gender, and intelligence. Experiment 1 used high/low‐structured change detection tasks, and eye‐movement indexes were recorded as they memorized the locations of the items to investigate spatial chunking strategies. In Experiment 2, changes in eye movement patterns were observed by adding a frame of reference. The results suggested different encoding strategies in ASD and TD individuals. The ASD group showed local processing bias and had difficulty adopting chunking strategies in spatial working memory. Eye‐movement analysis suggested that they rarely showed integrated information processing tendency observed in TD children. Moreover, as a compensatory processing, they were more likely to use the frame of reference. In this study, we compared the spatial chunking strategies and reference preference of children with and without ASD, and eye‐movement analysis was used to investigate the processing mechanism. These findings are significant for research on cognitive characteristics of ASD and provide a new focus for working memory training in children with ASD.

Lay Summary

The current study suggests that children with autism spectrum disorder are poorer at organizing items into chunks in spatial working memory, but rely more on reference frames. If the purpose of location memory is to strengthen the adaptability of children with autism, it should provide them with more clues or references. If it is for the purpose of intervention such as cognitive training, it should guide them to integrate information to improve the basic cognitive processing efficiency. Autism Res 2021, 14: 897–910. © 2020 International Society for Autism Research and Wiley Periodicals LLC.
Prenatal and foetal autopsy findings in glutaric aciduria type II
Authors: Martinez‐Aracil Adriano , Ruiz‐Onandi Rebeca , Perez‐Rodriguez Alvaro , Sagasta Amaia , Llano‐Rivas Isabel , Perez de Nanclares Guiomar
Published: September 2020

Background

Glutaric aciduria type 2 is a rare, lethal disorder that affects metabolism of fatty acids caused by genetic defects in electron transfer (ETF) or in electron transfer flavoprotein dehydrogenase (ETFDH). We aimed to describe the pathological findings of 15 week old foetus, born from a consanguineous couple with 3 previous perinatal deaths. The last son died at 4 days of life and genetic analyses revealed a novel probably pathogenic variant at ETFDH (c.706dupG + c.706dupG) that codifies for a truncated protein (p.Glu236Glyfs*5 + p.Glu236Glyfs*5).

Case

During the gestation, due to the medical familial history, prenatal echography and a chorial biopsy for ETFDH‐associated glutaric aciduria analysis were carried out. Sanger sequencing confirmed the presence of the homozygous familial variant in the ETFDH gene. The gestation was terminated and the foetal autopsy performed.

Autopsy revealed prominent forehead, flat nasal bridge, malformed ears, intrauterine growth retardation, polycystic kidneys and steatosis in the liver, consistent with the diagnosis of glutaric aciduria type II. The comparison of present cases with the previously reported in the literature confirmed the presence of classical criteria, but also revealed the association with urogenital deformities, not previously stated.

Conclusions

Clinical and foetal findings allowed the characterisation of the novel variant (c.706dupG at ETDFH) as pathogenic. Genotype–phenotype relationship is important when studying rare genetic disorders such as glutaric aciduria type II, as variants are usually family‐specific, leading to a difficulty in the characterisation of their pathogenicity.
Development of a novel intravascular oxygenator catheter: Oxygen mass transfer properties across nonporous hollow fiber membranes
Authors: Farling Stewart , Straube Tobias L. , Vesel Travis P. , Bottenus Nick , Klitzman Bruce , Cheifetz Ira M. , Deshusses Marc A.
Published: September 2020

Despite hypoxic respiratory failure representing a large portion of total hospitalizations and healthcare spending worldwide, therapeutic options beyond mechanical ventilation are limited. We demonstrate the technical feasibility of providing oxygen to a bulk medium, such as blood, via diffusion across nonporous hollow fiber membranes (HFMs) using hyperbaric oxygen. The oxygen transfer across Teflon® membranes was characterized at oxygen pressures up to 2 bars in both a stirred tank vessel (CSTR) and a tubular device mimicking intravenous application. Fluxes over 550 ml min−1 m−2 were observed in well‐mixed systems, and just over 350 ml min−1 m−2 in flow through tubular systems. Oxygen flux was proportional to the oxygen partial pressure inside the HFM over the tested range and increased with mixing of the bulk liquid. Some bubbles were observed at the higher pressures (1.9 bar) and when bulk liquid dissolved oxygen concentrations were high. High‐frequency ultrasound was applied to detect and count individual bubbles, but no increase from background levels was detected during lower pressure operation. A conceptual model of the oxygen transport was developed and validated. Model parametric sensitivity studies demonstrated that diffusion through the thin fiber walls was a significant resistance to mass transfer, and that promoting convection around the fibers should enable physiologically relevant oxygen supply. This study indicates that a device is within reach that is capable of delivering greater than 10% of a patient's basal oxygen needs in a configuration that readily fits intravascularly.
Nomogram forecasting 3‐, 5‐, and 8‐year overall survival and cancer‐specific survival of gingival squamous cell carcinoma
Authors: Yan Lei , Deng Weizhuo , Guan Lina , Xu Hao
Published: September 2020

No nomogram models addressing the personalized prognosis evaluation of patients with gingival squamous cell carcinoma (GSCC) have been documented. We sought to establish nomograms to forecast overall survival (OS) and cancer‐specific survival (CSS) of patients with GSCC. We collected the detailed clinicopathological information of 2505 patients with GSCC from the Surveillance, Epidemiology and End Results (SEER) program. Afterward, we divided the 2505 cases into a modeling group (n = 1253) and an external validation cohort (n = 1252) via random split‐sample method. We developed the nomograms on the basis of the Kaplan‐Meier and multivariate Cox survival analysis of the modeling group and then split the modeling cohort into two parts based on cut‐off values: high‐ and low‐risk cohorts. An improved survival was shown in the low‐risk group compared to their counterpart, with a significant difference after the log‐rank test. The performance of the nomograms was evaluated via concordance‐index (C‐index), the area under the receiver operating characteristic curve (AUC), and calibration curves. All the C‐indexes and AUCs were greater than 0.7, showing high accuracy. Moreover, the calibrations showed that the actual observations were close to the 45° perfect reference line. In conclusion, we successfully developed two nomograms to provide individualized, patient‐specific estimates of OS and CSS available for risk‐stratification.
Covid‐19 in patients with hematological and solid cancers at a Comprehensive Cancer Center in Germany
Authors: Shoumariyeh Khalid , Biavasco Francesca , Ihorst Gabriele , Rieg Siegbert , Nieters Alexandra , Kern Winfried V. , Miething Cornelius , Duyster Justus , Engelhardt Monika , Bertz Hartmut
Published: September 2020

Background

Patients with cancer are considered a high‐risk group for viral pneumonia, with an increased probability of fatal outcome. Here, we investigated the clinical characteristics and outcome of patients with solid and hematological cancers and concomitant Covid‐19 at a Comprehensive Cancer Center in a Covid‐19 hotspot area in Germany.

Methods

We performed a retrospective single center cohort study of 39 patients with hematological and solid cancers who were hospitalized at the University Hospital Freiburg for Covid‐19. Using univariate and multivariate Cox regression models we compared time to severe events and overall survival to an age‐matched control cohort of 39 patients with confirmed Covid‐19 without a cancer diagnosis.

Results

In the cancer cohort 29 patients had a diagnosis of a solid tumor, and 10 had a hematological malignancy. In total, eight patients (21%) in the cancer and 14 patients (36%) from the noncancer cohort died during the observation period. Presence of a malignancy was not significantly associated with survival or time to occurrence of severe events. Major influences on mortality were high IL‐6 levels at Covid‐19 diagnosis (HR = 6.95, P = .0121) and age ≥ 65 years (HR = 6.22, P = .0156).

Conclusions

Compared to an age‐matched noncancer cohort, we did not observe an association between a cancer diagnosis and a more severe disease course or higher fatality rate in patients with Covid‐19. Patients with a hematological malignancy showed a trend towards a longer duration until clinical improvement and longer hospitalization time compared to patients with a solid cancer. Cancer per se does not seem to be a confounder for dismal outcome in Covid‐19.
3D face modeling from single image based on discrete shape space
Authors: Zhang Dan , Lv Chenlei , Liu Na , Wu Zhongke , Wang Xingce
Published: September 2020

In this article, we propose a novel 3D face modeling method which constructs a new 3D face model from a low‐dimensional feature space consisted of a large set of blend shapes based on the discrete shape space theory. The details of original face features are completely retained during the modeling process and a large number of new natural faces are constructed by several face samples. The optimization process of our method is independently decoupled for different facial attributes (identity, expression, and head pose), which improves the application flexibility and reduces the probability of it falling into a local optimal situation. The new facial data with new attributes are constructed based on the geodesic path search in discrete shape space with sufficient freedom and accuracy. In experiments and applications based on public databases (Helen, LFW, and CUFS), the modeling results show our method can provide high‐quality 3D face model, with enough freedom for face expression editing and natural facial expression animation from a small facial sample set.
Core‐crown Quantum Nanoplatelets with Favorable Type‐II Heterojunctions Boost Charge Separation and Photocatalytic NO Oxidation on TiO2
Authors: Ebrahimi Elnaz , Irfan Muhammad , Shabani Farzan , Kocak Yusuf , Karakurt Bartu , Erdem Emre , Demir Hilmi Volkan , Ozensoy Emrah
Published: September 2020

Functionalization of TiO2 (P25) with oleic acid‐capped CdSe(core)/CdSeTe(crown) quantum‐well nanoplatelets (NPL) yielded remarkable activity and selectivity toward nitrate formation in photocatalytic NOx oxidation and storage (PHONOS) under both ultraviolet (UV‐A) and visible (VIS) light irradiation. In the NPL/P25 photocatalytic system, photocatalytic active sites responsible for the NO(g) photo‐oxidation and NO2 formation reside mostly on titania, while the main function of the NPL is associated with the photocatalytic conversion of the generated NO2 into the adsorbed NO3− species, significantly boosting selectivity toward NOx storage. Photocatalytic improvement in NOx oxidation and storage upon NPL functionalization of titania can also be associated with enhanced electron‐hole separation due to a favorable Type‐II heterojunction formation and photo‐induced electron transfer from the CdSeTe crown to the CdSe core of the quantum well system, where the trapped electrons in the CdSe core can later be transferred to titania. Re‐usability of NPL/P25 system was also demonstrated upon prolonged use of the photocatalyst, where NPL/P25 catalyst surpassed P25 benchmark in all tests.
A Cp‐based Molybdenum Catalyst for the Deoxydehydration of Biomass‐derived Diols
Authors: Li Jing , Lutz Martin , Klein Gebbink Robertus J. M.
Published: September 2020

Dioxo‐molybdenum complexes have been reported as catalysts for the deoxydehydration (DODH) of diols and polyols. Here, we report on the DODH of diols using [Cp*MoO2]2O as catalyst (Cp*=1,2,3,4,5‐pentamethylcyclopentadienyl). The DODH reaction was optimized using 2 mol % of [Cp*MoO2]2O, 1.1 equiv. of PPh3 as reductant, and anisole as solvent. Aliphatic vicinal diols are converted to the corresponding olefins by [Cp*MoO2]2O in up to 65 % yield (representing over 30 turnovers per catalyst) and 91 % olefin selectivity, which rivals the performance of other Mo‐based DODH catalysts. Remarkably, cis‐1,2‐cyclohexanediol, which is known as quite a challenging substrate for DODH catalysis, is converted to 30 % of 1‐cyclohexene under optimized reaction conditions. Overall, the mass balances (up to 79 %) and TONs per Mo achievable with [Cp*MoO2]2O are amongst the highest reported for molecular Mo‐based DODH catalysts. A number of experiments aimed at providing insight in the reaction mechanism of [Cp*MoO2]2O have led to the proposal of a catalytic pathway in which the [Cp*MoO2]2O catalyst reacts with the diol substrate to form a putative nonsymmetric dimeric diolate species, which is reduced in the next step at only one of its Mo‐centers before extrusion of the olefin product.
Pd−Zn Alloy Nanoparticles Encapsulated into Mesoporous Silica with Confinement Effect for Highly Selective Semi‐Hydrogenation of Phenylacetylene
Authors: Li Zhenxing , Hu Mingliang , Liu Bowen , Liu Jiahao , Wang Ping , Yao Jiasai , Zhang Xin , He Miao , Song Weiyu
Published: September 2020

In the process of hydrogenation of phenylacetylene to styrene, it is a crucial step to improve the reaction selectivity of the target product styrene. Herein, we have designed the Pd−Zn alloy nanoparticles encapsulated into mesoporous silica with confinement effect (Pd−Zn@MS) for highly selective semi‐hydrogenation of phenylacetylene via annealing the Pd NPs@ZIF‐8 in reducing atmosphere. The as‐obtained Pd−Zn@MS achieved up to the 95 % of conversion rate and 92 % of selectivity, because the mesoporous silica exhibits a steric hindrance effect for the reactant molecular size, and the Pd−Zn alloy nanoparticles shows the high selectivity for the target product styrene. DFT calculations demonstrates that the PdZn alloy nanoparticles can reduce significantly the desorption energy barrier of styrene from 1.72 eV to 0.95 eV, compared with the Pd nanoparticles. Meanwhile the mesoporous silica in the outer layer greatly guarantees the stability of the catalytic performance of the catalyst, and the catalytic performance did not drop after the five‐cycle test. This work provides a new idea for the selective hydrogenation of phenylacetylene and the process of limited‐area catalysis.
Binding and electron pair – two binding models for chemistry lessons
Authors: Barke Hans‐Dieter
Published: September 2020

In der Chemie gibt es zwei äquivalente Beschreibungsweisen zum Sachverhalt „Zusammenhalt von Atomen in Molekülen“. Zum einen sind es mit Valenzstrichen gekennzeichnete Bindekräfte oder Bindefähigkeiten, zum anderen ebenfalls mit Strichen symbolisierte bindende oder freie Elektronenpaare. Um auch im Anfangsunterricht ohne das differenzierte Atommodell die Bindungen in Molekülen zu symbolisieren, werden Normbindefähigkeiten definiert, beispielsweise 4 für das C‐Atom in CH4‐Molekülen oder 2 für das O‐Atom in H2O‐Molekülen. Entsprechende historische und fachliche Grundlagen werden angeboten und für Unterrichtsvorschläge reflektiert.
What do ions do in electrolyte? On the trail of conductivity in experiments and digital materials
Authors: Lüke Dennis , Quarthal Dominik , Oetken Marco
Published: September 2020

Obwohl die Leitfähigkeit Schülerinnen und Schülern bereits im Anfangsunterricht begegnet, zeigen Untersuchungen, dass selbst nach dem Unterrichten der Elektrochemie Unsicherheiten dahingehend herrschen, welche Rolle Ionen in wässrigen Lösungen zukommt, wenn elektrischer Strom fließt. Zahlreiche Lernende sind sich der Ionenbewegung in Elektrolyten nicht bewusst und gehen vielmehr von Mechanismen aus, bei denen die Ionen Elektronen durch die Lösung transportieren.

Um diesem Missstand fachunterrichtlich zu begegnen, braucht es Experimente, die die gerichtete Ionenbewegung sichtbar machen. Im Folgenden wird ein SchülerInnen‐Experiment vorgestellt, in dem Kondensatoreffekte genutzt werden, um ionische Farbstoffe auf Grundlage der Ionenbewegung sichtbar voneinander zu trennen. Ein Angebot zu digitalen ergänzenden Materialien für Ihren Unterricht finden Sie am Ende des Artikels.
ADVL1522: A phase 2 study of lorvotuzumab mertansine (IMGN901) in children with relapsed or refractory wilms tumor, rhabdomyosarcoma, neuroblastoma, pleuropulmonary blastoma, malignant peripheral nerve sheath tumor, or synovial sarcoma—A Children's Oncology Group study
Authors: Geller James I. , Pressey Joseph G. , Smith Malcolm A. , Kudgus Rachel A. , Cajaiba Mariana , Reid Joel M. , Hall David , Barkauskas Donald A. , Voss Stephen D. , Cho Steve Y. , Berg Stacey L. , Dome Jeffrey S. , Fox Elizabeth , Weigel Brenda J.
Published: September 2020

Background

Lorvotuzumab mertansine (IMGN901) is an antibody‐drug conjugate linking an antimitotic agent (DM1) to an anti‐CD56 antibody (lorvotuzumab). Preclinical efficacy has been noted in Wilms tumor, rhabdomyosarcoma, and neuroblastoma. Synovial sarcoma, malignant peripheral nerve sheath tumor (MPNST), and pleuropulmonary blastoma also express CD56. A phase 2 trial of lorvotuzumab mertansine was conducted to assess its efficacy, recommended phase 2 dose, and toxicities.

Methods

Eligible patients had relapsed after or progressed on standard therapy for their tumor type. Lorvotuzumab mertansine (110 mg/m2 per dose) was administered at the adult recommended phase 2 dose intravenously on days 1 and 8 of 21‐day cycles. Dexamethasone premedication was used. Pharmacokinetic samples, peripheral blood CD56‐positive cell counts, and tumor CD56 expression were assessed.

Results

Sixty‐two patients enrolled. The median age was 14.3 years (range, 2.8‐29.9 years); 35 were male. Diagnoses included Wilms tumor (n = 17), rhabdomyosarcoma (n = 17), neuroblastoma (n = 12), synovial sarcoma (n = 10), MPNST (n = 5), and pleuropulmonary blastoma (n = 1). Five patients experienced 9 dose‐limiting toxicities: hyperglycemia (n = 1), colonic fistula (n = 1) with perforation (n = 1), nausea (n = 1) with vomiting (n = 1), increased alanine aminotransferase in cycle 1 (n = 2), and increased alanine aminotransferase in cycle 2 (n = 1) with increased aspartate aminotransferase (n = 1). Non–dose‐limiting toxicities (grade 3 or higher) attributed to lorvotuzumab mertansine were rare. The median values of the maximum concentration, half‐life, and area under the curve from zero to infinity for DM1 were 0.87 µg/mL, 35 hours, and 27.9 µg/mL h, respectively. Peripheral blood CD56+ leukocytes decreased by 71.9% on day 8. One patient with rhabdomyosarcoma had a partial response, and 1 patient with synovial sarcoma achieved a delayed complete response.

Conclusions

Lorvotuzumab mertansine (110 mg/m2) is tolerated in children at the adult recommended phase 2 dose; clinical activity is limited.
Modeling on virtual network embedding using reinforcement learning
Authors: Wang Cong , Zheng Fanghui , Zheng Guangcong , Peng Sancheng , Tian Zejie , Guo Yujia , Li Guorui , Yuan Ying
Published: September 2020

It is well known that virtual network (VN) embedding (VNE) aims to solve how to efficiently allocate physical resources to a VN. However, this issue has been proved to be an NP‐hard problem. Besides, as most of the existing approaches are based on heuristic algorithms, which is easy to fall into local optimal. To address the challenge, we formalize the problem as a mixed integer programming problem and propose a novel VNE method based on reinforcement learning in this article. And to solve the problem, we introduce a pointer network to generate virtual node mapping strategies through an attention mechanism, and design a reward function related to link resource consumption to build the connection between node mapping and link mapping stages of VNE. In addition, we present a policy gradient optimization mechanism to leverage the reward information obtained from the sampled solutions, and design an active search based process to automatically update the parameters of the neural network and to obtain near‐optimal embedding solution. The experimental results show that the proposed method can improve the performance in average physical node utilization and long‐term revenue to cost ratio comparing than that of the existing models.
Sustainability regulation and global corporate citizenship: A lesson (already) learned?
Authors: Carini Cristian , Rocca Laura , Veneziani Monica , Teodori Claudio
Published: September 2020

The European Directive 2014/95, in force in 2017, requires non‐financial information to all public interest entities with more than 500 employees. However, multinational companies as ‘global corporate citizen’ have already started to communicate sustainability disclosure, before the accounting regulation imperative. The paper studies the sustainability disclosure behaviour of a global multinational Company, Eni, an Italian Integrated Oil & Gas Listed Company. The aim is to examine the relationship between the ‘self‐regulation’ disclosure before the law and the forces within the company that drove that decision and the ex‐post disclosure after the regulation imperative. The analysis is conducted over the 2018–2011 period and considers all the annual reports (i.e., financial report and social, environmental or sustainability reports). The results state that ‘self‐regulation’ is guided by strategic legitimacy based on factors as corporate strategy, corporate identity and stakeholders' pressure while the accounting regulation represents a tool to summarize non‐financial data.
Theoretical Study of Transition‐Metal‐Modified Mo2CO2 MXene as a Catalyst for the Hydrogen Evolution Reaction
Authors: Gan Jinyu , Li Fuhua , Tang Yurong , Tang Qing
Published: September 2020

The 2D MXenes have attracted great recent attention as the electrocatalytic materials for hydrogen evolution reaction (HER). However, the activity and the modification strategy of the catalytic properties have not been firmly established yet. In this study, we performed density functional theory (DFT) calculations to investigate the stability and HER performance of functionalized Mo2C MXene. The Pourbaix diagram indicates the fully oxidized surface is the most stable state. The oxidized Mo2CO2 is electrically conductive, yet the surface HER activity is unsatisfactory owing to the strong first H adsorption. The doping of transition metals (TM) into the Mo lattice, however, leads to much more enhanced H adsorption and deteriorates the activity. Alternatively, the H binding can be effectively weakened and flexibly tuned by anchoring the TM atoms over the surface with appropriate coverage, and Mn/Fe decoration at 12.5 % ML (monolayer) coverage is identified as the promising candidates with close to zero Gibbs free energy of H adsorption (ΔGH*) for the first H adsorption. The weakening effect arises from charge transfer from TM to surface O, resulting in increased occupancy and weakened O−H bonds. Furthermore, contrary to the weakening effect, the tensile strain leads to enhanced O−H binding by the up‐shifted Op electronic states, which can further modulate the HER performance of TM‐modified Mo2CO2. The synergistic effect between TM modification and strain engineering offers beneficial advantages for the realization of efficient electrochemical HER, which can be applied to other MXenes for electronic and catalytic applications.
Equine metabolism of the selective androgen receptor modulator AC‐262536 in vitro and in urine, plasma and hair following oral administration
Authors: Cutler Charlotte , Viljanto Marjaana , Taylor Polly , Habershon‐Butcher Jocelyn , Muir Tessa , Biddle Simon , Van Eenoo Peter
Published: September 2020

AC‐262536 is one of a number of selective androgen receptor modulators that are being developed by the pharmaceutical industry for treatment of a range of clinical conditions including androgen replacement therapy. Though not available therapeutically, selective androgen receptor modulators are widely available to purchase online as (illegal) supplement products. The growth‐ and bone‐promoting effects, along with fewer associated negative side effects compared with anabolic–androgenic steroids, make these compounds a significant threat with regard to doping control in sport. The aim of this study was to investigate the metabolism of AC‐262536 in the horse following in vitro incubation and oral administration to two Thoroughbred horses, in order to identify the most appropriate analytical targets for doping control laboratories. Urine, plasma and hair samples were collected and analysed for parent drug and metabolites. Liquid chromatography–high‐resolution mass spectrometry was used for in vitro metabolite identification and in urine and plasma samples. Nine phase I metabolites were identified in vitro; four of these were subsequently detected in urine and three in plasma, alongside the parent compound in both matrices. In both urine and plasma samples, the longest detection window was observed for an epimer of the parent compound, which is suggested as the best target for detection of AC‐262536 administration. AC‐262536 and metabolites were found to be primarily glucuronide conjugates in both urine and plasma. Liquid chromatography–tandem mass spectrometry analysis of post‐administration hair samples indicated incorporation of parent AC‐262536 into the hair following oral administration. No metabolites were detected in the hair.
Effect of sacubitril/valsartan on renal function: a systematic review and meta‐analysis of randomized controlled trials
Authors: Spannella Francesco , Giulietti Federico , Filipponi Andrea , Sarzani Riccardo
Published: September 2020

A worsening renal function is prevalent among patients with cardiovascular disease, especially heart failure (HF). Sacubitril/valsartan appears to prevent worsening of renal function and progression of chronic kidney disease (CKD) as compared with renin–angiotensin system (RAS) inhibitors alone in HF patients. It is unclear whether these advantages are present in HF patients only, or can be extended to other categories of patients, in which this drug was studied. We performed a systematic review and meta‐analysis to assess the consistency of effect size regarding renal outcome across randomized controlled trials (RCTs) that compared sacubitril/valsartan with RAS inhibitors in patients with or without HF. We searched Medline (PubMed), Scopus, and Thomson Reuters Web of Science databases until June 2020. We took into account RCTs that compared sacubitril/valsartan with a RAS inhibitor and reported data regarding renal function. We used random‐effects models to obtain summary odds ratio (OR) with 95% confidence interval (CI). We extracted hazard ratios for renal outcomes, glomerular filtration rate slopes or rates of renal adverse events. Sensitivity analyses were performed by moderator analysis and random‐effects meta‐regression. The search revealed 10 RCTs (published between 2012 and 2019) on 16 456 subjects. Sacubitril/valsartan resulted in a lower risk of renal dysfunction as compared with RAS inhibitors alone [k = 10; pooled OR = 0.70 (95% CI 0.57–0.85); P < 0.001], with a moderate inconsistency between studies [Q(9) = 15.18; P = 0.086; I2 = 40.73%]. A stronger association was found in studies including older patients (k = 10; β = −0.047730; P = 0.020) or HF patients with preserved ejection fraction [pooled OR = 0.53 (0.41–0.68) vs. 0.76 (0.57–1.01) for studies on HF patients with reduced ejection fraction; P for comparison = 0.065]. The effect size did not change with different comparators (angiotensin‐converting enzyme inhibitors vs. angiotensin II type 1 receptor blockers, P = 0.279). No significant association was found when the analysis was restricted to studies on non‐HF patients [k = 3; pooled OR = 0.86 (0.61–1.22); P = 0.403] and studies with high risk of bias [k = 3; pooled OR = 0.34 (0.08–1.44); P = 0.143]. Our findings support the role of sacubitril/valsartan on preservation of renal function, especially in older patients and HF patients with preserved ejection fraction. However, evidence is currently limited to HF patients, while the renal outcome of sacubitril/valsartan therapy outside the HF setting needs to be further investigated.
Practical energy densities, cost, and technical challenges for magnesium‐sulfur batteries
Authors: Razaq Rameez , Li Ping , Dong Yulong , Li Yao , Mao Ya , Bo Shou‐Hang
Published: September 2020

Amid burgeoning environmental concerns, electrochemical energy storage has rapidly gained momentum. Among the contenders in the “beyond lithium” energy storage arena, the magnesium‐sulfur (Mg/S) battery has emerged as particularly promising, owing to its high theoretical energy density. However, the gap between fundamental research and practical application is still hindering the commercialization of Mg/S batteries. Here, through reviewing the recent developments of Mg/S batteries technologies, especially with respect to energy density and cost, we present the primary technical challenges on both materials and device level to surpass the energy density and cost‐effectiveness of lithium‐ion battery. While the high electrolyte‐sulfur ratio and the expensive liquid electrolyte are significantly limiting the practical application of Mg/S batteries, we found that solid‐state Mg electrolyte appears to be a feasible solution on the basis of energy density and cost evaluation.

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Sensory and chemical characteristics of tomato juice from fresh market cultivars with comparison to commercial tomato juice
Authors: Koltun Stephen J. , MacIntosh Andrew J. , Goodrich‐Schneider Renee M. , Klee Harry J. , Hutton Samuel F. , Sarnoski Paul J.
Published: September 2020

Florida tomatoes are primarily produced for the fresh market and have not been widely used in processed tomato products. This study tested six Florida fresh market tomato cultivars (FLA 8083, FLA 8297, FLA 8344, FLA 8570, FLA 8924 and Garden Gem) to determine suitability for juice production. Genetic and environmental‐induced variation was studied, and analyses identified metabolites that influenced the perceptual and hedonic responses of tomato juice. Each cultivar was processed into juice by hot breaking at 86 ˚C for 3.5 minutes and then pasteurization at 121 ˚C for 42 seconds for a shelf stable product. Among the six pilot products, FLA 8344 cultivar had significantly higher soluble solids content and titratable acidity in all three experiments. The pH of each of the tomato juices made from fresh market tomatoes was within or below the typical range for tomato juice. Garden Gem was consistently rated significantly (P ≤ .05) higher for aroma, overall liking, tomato flavour, texture and overall flavour. In all three experiments, tomato juice from a fresh market cultivar simultaneously had the greatest abundance of green‐note volatiles (hexanal, 1‐hexanol, (Z)‐3‐hexen‐1‐ol, etc) and the lowest abundance of cooked‐note volatiles (dimethyl sulphide, methional and furfural). Consumer acceptance increased as salt concentration increased and while season had minor effects on the chemical composition of the juice, consumers preferred the Spring processed tomato juice over Fall.