bluuebunny/crossref_metadata_2025 huggingface dataset:
Fundamental Insights from a Single‐Crystal Sodium Iridate Battery
Authors: Tepavcevic Sanja , Zheng Hong , Hinks David G. , Key Baris , Ward Logan , Lu Zhi , Stoumpos Costas , Ren Yang , Freeland John W. , Wolverton Christopher , Phillips Patrick , Klie Robert , Mitchell John F. , Markovic Nenad M.
Published: February 2020

Electrochemically driven chemical transformations play the key role in controlling storage of energy in chemical bonds and subsequent conversion to power electric vehicles and consumer electronics. The promise of coupling anionic oxygen redox with cationic redox to achieve a substantial increase in capacities has inspired research in a wide range of electrode materials. A key challenge is that these studies have focused on polycrystalline materials, where it is hard to perform precise structural determinations, especially related to the location of light atoms. Here a different approach is utilized and a highly ordered single crystal, Na2−xIrO3 is harnessed, to explore the role of defects and structural transformations in layered transition metal oxide materials on redox‐activity, capacity, reversibility, and stability. Within a combined experimental and theoretical framework, it is demonstrated that 1) it is possible to cycle Na2−xIrO3, offering proof of principle for single‐crystal based batteries 2) structural phase transitions coincide with Ir 4+/Ir 5+ redox couple with no evident contribution from anionic redox 3) strong irreversibility and capacity fade observed during cycling correlates with the Na + migration resulting in progressive growth of an electrochemically inert O3‐type NaIrO3 phase.
Effect of Cu–Sn–Se Liquid Phase on Grain Growth and Efficiency of CZTSSe Solar Cells
Authors: Kim Se‐Yun , Son Dae‐Ho , Kim Seung‐Hyun , Kim Young‐Ill , Kim Sammi , Ahn Kwangseok , Yang Kee‐Jeong , Kang Jin‐Kyu , Kim Dae‐Hwan
Published: February 2020

Herein, a liquid‐assisted grain growth (LGG) mechanism for a vacuum‐processed Cu2ZnSn(S1−xSex)4(CZTSSe) absorber that is enabled by the presence of a liquid phase containing predominantly Cu, Sn, and Se (L‐CTSe) is suggested to explain the large grain size of up to ≈6 µm obtained at low temperatures, such as 480 °C. In this system, LGG plays a key role in achieving a large grain CZTSSe absorber, but the residual L‐CTSe, a key factor in LGG, deteriorates the device performance. L‐CTSe residue can possibly remain when using metal precursors for reasons such as local composition nonuniformity due to the agglomeration of Cu–Sn alloys, uncontrolled Zn volatilization. It is expected that CZTSSe cells with L‐CTSe residues have lower efficiency and fill factor than CZTSSe cells without L‐CTSe due to the role of L‐CTSe as a shunt path and compositional misfit. These tendencies are observed in the statistical results. Thus, when synthesizing CZTSSe using a metal precursor in a two‐step process, it is considered important to design the precursors to remove unwanted L‐CTSe residues and optimization of composition.
Gadolinium‐Induced Valence Structure Engineering for Enhanced Oxygen Electrocatalysis
Authors: Li Meng , Wang Yu , Zheng Yang , Fu Gengtao , Sun Dongmei , Li Yafei , Tang Yawen , Ma Tianyi
Published: February 2020

Rare earth doped materials with unique electronic ground state configurations are considered emerging alternatives to conventional Pt/C for the oxygen reduction reaction (ORR). Herein, gadolinium (Gd)‐induced valence structure engineering is, for the first, time investigated for enhanced oxygen electrocatalysis. The Gd2O3–Co heterostructure loaded on N‐doped graphene (Gd2O3–Co/NG) is constructed as the target catalyst via a facile sol–gel assisted strategy. This synthetic strategy allows Gd2O3–Co nanoparticles to distribute uniformly on an N‐graphene surface and form intimate Gd2O3/Co interface sites. Upon the introduction of Gd2O3, the ORR activity of Gd2O3–Co/NG is significantly increased compared with Co/NG, where the half‐wave potential (E1/2) of Gd2O3–Co/NG is 100 mV more positive than that of Co/NG and even close to commercial Pt/C. The density functional theory calculation and spectroscopic analysis demonstrate that, owing to intrinsic charge redistribution at the engineered interface of Gd2O3/Co, the coupled Gd2O3–Co can break the OOH*–OH* scaling relation and result in a good balance of OOH* and OH* binding on Gd2O3–Co surface. For practical application, a rechargeable Zn–air battery employing Gd2O3–Co/NG as an air–cathode achieves a large power density and excellent charge–discharge cycle stability.
The Roles of Adoption and Behavior Change in Agricultural Policy
Authors: Pannell David J. , Claassen Roger
Published: February 2020

Much of agricultural and agri‐environmental policy is concerned with influencing the behavior of farmers in adopting new practices. An ability to understand and predict adoption of practices is useful for agricultural policy in several ways, including assessing additionality, selecting policy mechanisms, targeting policy to practices, farmer types or regions, and assessing likely policy success. Clear thinking about adoption is sometimes clouded by ambiguous and inconsistent language. We suggest a number of terms that are more specific than “adoption.” Research needs include collection of long‐term data sets on adoption of a variety of practices, understanding what determines continuous, sustained adoption of conservation practices and a better understanding of why adoption varies between farms.
Human Capital and Adoption of Innovations: Policy Implications
Authors: Huffman Wallace E.
Published: February 2020

New technologies are made possible by public and private R&D. Investments in education increase skills for decision making—denoted as allocative efficiency. In an environment with dynamic technology, farmers with more education are better able to make technology adoption decisions in a dynamic economic and technical environment. Societies have developed institutions and policies for sharing the costs of education and obtaining the benefits.
Analyzing corn and cotton producers optimal prevented planting decision on moral hazard
Authors: Adkins Kevin , Boyer Christopher N. , Smith S. Aaron , Griffith Andrew P. , Muhammad Andrew
Published: February 2020

The prevented planting provision U.S. crop insurance programs protects producers from financial losses and risk associated with delayed planting. This provision has recently undergone some changes due to concerns about moral hazard in this provision. However, little is known about the likelihood of moral hazard in prevented planting and how these changes impact this possibility. We compared the net returns and variability of net returns for the four prevented planting options available for a corn (Zea mays L.) and upland cotton (Gossypium hirsutum L.) producer assuming soybean [Glycine max (L.) Merr.] as a viable second crop. We determine the optimal prevented planting option using the current prevented planting coverage factor at three crop insurance coverage levels. We also show how reductions in the prevented planting coverage factor would change the optimal selection and moral hazard in prevented planting. Data were collected from non‐irrigated corn, upland cotton, and soybean planting date experiments located in Tennessee. Yield response functions to planting date for corn, cotton, and soybean were estimated and incorporated into simulation models to generate distributions of net returns. Risk neutral, profit maximizers would choose a late planting option over the full prevented planting payment, but as risk aversion increases, the full prevented planting payment was preferred. Reduction in prevented planting coverage factors will likely reduce the likelihood an insured producer chooses to not produce a crop and take the full prevented planting indemnity payment, despite planting during the late planting period or switching crops being more profitable options.
Toward rational design of hierarchical beta zeolites: An overview and beyond
Authors: Fernandez Sergio , Ostraat Michele L. , Zhang Ke
Published: February 2020

The ever‐growing need to increase the efficiency of crude oil refining raises the prospects for utilizing advanced catalytic materials to supply increasing global demands for fine chemicals and petrochemicals. Zeolites have been used as indispensable catalysts in many commercial refining processes. Among them, zeolite beta is one of the most widely produced zeolite materials with industrial significance due to its large micropores and three‐dimensional pore structures. This article discusses recent progress on hierarchical beta zeolites from various synthetic strategies. Using zeolite beta as a representative case, we provide an overview on key aspects that are applicable to different zeolites via a variety of topics, such as selection of different template materials, tailoring of mesopore sizes by base leaching, organotemplate‐free synthesis of hierarchical zeolites, and selective desilication. This article concludes with a perspective on the design of scalable hierarchical zeolites that are more relevant as industrial catalysts in commercial processes.
B‐MWW Zeolite: The Case Against Single‐Site Catalysis
Authors: Altvater Natalie R. , Dorn Rick W. , Cendejas Melissa C. , McDermott William P. , Thomas Brijith , Rossini Aaron J. , Hermans Ive
Published: February 2020

Boron‐containing materials have recently been identified as highly selective catalysts for the oxidative dehydrogenation (ODH) of alkanes to olefins. It has previously been demonstrated by several spectroscopic characterization techniques that the surface of these boron‐containing ODH catalysts oxidize and hydrolyze under reaction conditions, forming an amorphous B2(OH)xO(3−x/2) (x=0–6) layer. Yet, the precise nature of the active site(s) remains elusive. In this Communication, we provide a detailed characterization of zeolite MCM‐22 isomorphously substituted with boron (B‐MWW). Using 11B solid‐state NMR spectroscopy, we show that the majority of boron species in B‐MWW exist as isolated BO3 units, fully incorporated into the zeolite framework. However, this material shows no catalytic activity for ODH of propane to propene. The catalytic inactivity of B‐MWW for ODH of propane falsifies the hypothesis that site‐isolated BO3 units are the active site in boron‐based catalysts. This observation is at odds with other traditionally studied catalysts like vanadium‐based catalysts and provides an important piece of the mechanistic puzzle.
Disentangling Reaction Processes of Zeolites within Single‐Oriented Channels
Authors: Fu Donglong , van der Heijden Onno , Stanciakova Katarina , Schmidt Joel E. , Weckhuysen Bert M.
Published: February 2020

Establishing structure–reactivity relationships for specific channel orientations of zeolites is vital to developing new, superior materials for various applications, including oil and gas conversion processes. Herein, a well‐defined model system was developed to build structure–reactivity relationships for specific zeolite‐channel orientations during various catalytic reaction processes, for example, the methanol‐ and ethanol‐to‐hydrocarbons (MTH and ETH) process as well as oligomerization reactions. The entrapped and effluent hydrocarbons from single‐oriented zeolite ZSM‐5 channels during the MTH process were monitored by using operando UV/Vis diffuse reflectance spectroscopy (DRS) and on‐line mass spectrometry (MS), respectively. The results reveal that the straight channels favor the formation of internal coke, promoting the aromatic cycle. Furthermore, the sinusoidal channels produce aromatics, (e.g., toluene) that further grow into larger polyaromatics (e.g., graphitic coke) leading to deactivation of the zeolites. This underscores the importance of careful engineering of materials to suppress coke formation and tune product distribution by rational control of the location of zeolite acid sites and crystallographic orientations.
A Direct S0→Tn Transition in the Photoreaction of Heavy‐Atom‐Containing Molecules
Authors: Nakajima Masaya , Nagasawa Sho , Matsumoto Koki , Kuribara Takahito , Muranaka Atsuya , Uchiyama Masanobu , Nemoto Tetsuhiro
Published: February 2020

According to the Grotthuss–Draper law, light must be absorbed by a substrate to initiate a photoreaction. There have been several reports, however, on the promotion of photoreactions using hypervalent iodine during irradiation with light from a non‐absorbing region. This contradiction gave rise to a mystery regarding photoreactions involving hypervalent iodine. We demonstrated that the photoactivation of hypervalent iodine with light from the apparently non‐absorbing region proceeds via a direct S0→Tn transition, which has been considered a forbidden process. Spectroscopic, computational, and synthetic experimental results support this conclusion. Moreover, the photoactivation mode could be extended to monovalent iodine and bromine, as well as bismuth(III)‐containing molecules, providing new possibilities for studying photoreactions that involve heavy‐atom‐containing molecules.
Inactivation of Pseudomonas aeruginosa in mineral water by DP1 bacteriophage immobilized on ethylene‐vinyl acetate copolymer used as seal caps of plastic bottles
Authors: Novello Júnia , Sillankorva Sanna , Pires Priscila , Azeredo Joana , Wanke César Henrique , Tondo Eduardo César , Bianchi Otávio
Published: February 2020

Pseudomonas aeruginosa has been found in bottled natural mineral water, even though its presence is not allowed in this product by different food regulations. This study aimed to investigate the inactivation of P. aeruginosa present in mineral water by vB_PaeM_CEB_DP1 (short name DP1) bacteriophage immobilized on ethylene‐vinyl acetate (EVA) copolymer used as seal caps of plastic bottles. EVA was chemically modified using microwave‐assisted alcoholysis, improving polymer‐phage binding. After that, DP1 phage was attached to EVA and EVA‐OH copolymers and both surfaces were tested for plaque formation using P. aeruginosa. Then, both materials containing immobilized phages were used as seal caps of plastic bottles and its antimicrobial capacity was tested against P. aeruginosa contaminating mineral water. The EVA‐OH resulted in higher hydrogen bond density that contributed significantly to the phage immobilization on the polymer surface. The polymers containing immobilized phages were able to reduce 0.53 log of P. aeruginosa population present inside mineral water bottles after 14 days.
Polydimethylsiloxane wrapped aluminum diethylphosphinate for enhancing the flame retardancy of polyamide 6
Authors: Pan Ying , Song Lei , Wang Weiming , Zhao Hongting
Published: February 2020

Aluminum diethylphosphinate (ADP) was wrapped with polydimethylsiloxane (PDMS) by a facile method to improve its hydrophobic properties. The morphology and properties of PDMS‐modified ADP (PDMS‐ADP) were investigated by thermogravimetric analysis, scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, and water contact angle tests. The water contact angle of PDMS‐ADP was increased from 126° to 151° as compared with that of ADP, which indicates that PDMS‐ADP showed good hydrophobic properties. Then, ADP and PDMS‐ADP were introduced into polyamide 6 (PA6) matrices to study the flame retardancy of the composites. The flammability of the PA6/ADP and PA6/PDMS‐ADP composites was much lower than that of pure PA6. The composites PA6‐1 (with the addition of 15 wt% ADP) and PA6‐4 (with the addition of 12 wt% PDMS‐ADP) could pass the UL‐94 V‐0 in the vertical burning test. Meanwhile, the peak heat release rates of PA6‐1 and PA6‐4 were 212 and 192 kW/m2, with reductions of 67.3 and 70.4%, respectively, compared with pure PA6. These results indicated that the coating of PDMS could enhance the flame‐retardant efficiency of ADP.
Cochlear Implantation From the Perspective of Genetic Background
Authors: Usami Shin‐ichi , Nishio Shin‐ya , Moteki Hideaki , Miyagawa Maiko , Yoshimura Hidekane
Published: February 2020

While cochlear implantation (CI) technology has greatly improved over the past 40 years, one aspect of CI that continues to pose difficulties is the variability of outcomes due to numerous factors involved in postimplantation performance. The electric acoustic stimulation (EAS) system has expanded indications for CI to include patients with residual hearing, and is currently becoming a standard therapy for these patients. Genetic disorders are known to be the most common cause of congenital/early‐onset sensorineural hearing loss, and are also involved in a considerable proportion of cases of late‐onset hearing loss. There has been a great deal of progress in the identification of deafness genes over the last two decades. Currently, more than 100 genes have been reported to be associated with non‐syndromic hearing loss. Patients possessing a variety of deafness gene mutations have achieved satisfactory auditory performance after CI/EAS, suggesting that identification of the genetic background facilitates prediction of post‐CI/EAS performance. When the intra‐cochlear etiology is associated with a specific genetic background, there is a potential for good CI performance. Thus, it is essential to determine which region of the cochlea is affected by identifying the responsible genes. This review summarizes the genetic background of the patients receiving CI/EAS, and introduces detailed clinical data and CI/EAS outcomes in representative examples. Anat Rec, 303:563–593, 2020. © 2020 The Authors. The Anatomical Record published by Wiley Periodicals, Inc. on behalf of American Association of Anatomists.
Further Study of CO2 Electrochemical Reduction on Palladium Modified BDD Electrode: Influence of Electrolyte
Authors: Jiwanti Prastika Krisma , Einaga Yasuaki
Published: February 2020

The study of CO2 electrochemical reduction to useful compounds using bare or modified BDD electrode attracts numerous attentions. Meanwhile, the efficiency of products obtained from CO2 electrochemical reduction is known to be determined by the electrode material and the electrolyte. Formic acid as main product and CO as a minor product, have also been known on the CO2 reduction using BDD electrode. Recently, we reported the successful improvement of CO production from the reduction of CO2 by decorating the surface of BDD electrode with palladium particles. Following this, herein, we present further investigation on electrolyte dependence, including cation and anion dependence and also concentration effect in order to understand deeply the CO2 reduction on surface of palladium modified BDD electrode. The results suggest the use of NaCl and KCl as a catholyte for optimum performance, in addition to the improvement of CO2 reduction product in higher electrolyte concentration.
2D/2D h‐BN/N‐doped MoS2 Heterostructure Catalyst with Enhanced Peroxidase‐like Performance for Visual Colorimetric Determination of H2O2
Authors: Zhang Xin , Gao Yanfang
Published: February 2020

Recently, nanozymes have attracted extensive attention because of their advantages of combining nanomaterials with enzymes. Herein, hexagonal boron nitride (h‐BN) and nitride‐doped molybdenum disulfide (N−MoS2) nano‐composites (h‐BN/N−MoS2) were synthesized by facile and cost‐effective liquid exfoliation with a solvothermal method in nontoxic ethanol solution. The results show that h‐BN, as a co‐catalyst, can not only dope into the lattice of MoS2 but also form a heterogeneous structure with MoS2NSs. It expanded the layer spacing and specific surface area of MoS2NSs, which was beneficial to the contact between the catalyst and the substrate, and resulted in a synergistic enhancement of the catalytic activity of hydrogen peroxide (H2O2) with MoS2. A colorimetric determination platform of h‐BN/N−MoS2‐TMB‐H2O2 was constructed. It exhibited a wide linear range of 1–1000 μM with a low limit of detection (LOD) of 0.4 μM under optimal conditions, high sensitivity and stability, as well as good reliability (99.4–110.0%) in practice, making the measurement system more widely applicable.1. Introduction
Enantioselective Sequential‐Flow Synthesis of Baclofen Precursor via Asymmetric 1,4‐Addition and Chemoselective Hydrogenation on Platinum/Carbon/Calcium Phosphate Composites
Authors: Ishitani Haruro , Furiya Yuichi , Kobayashi Shu
Published: February 2020

Continuous‐flow synthesis of baclofen precursor (2) was achieved using achiral and chiral heterogeneous catalysts in high yield with high enantioselectivity. The key steps are chiral calcium‐catalyzed asymmetric 1,4‐addition of a malonate to a nitroalkene and chemoselective reduction of a nitro compound to the corresponding amino compound by using molecular hydrogen. A dimethylpolysilane (DMPS)‐modified platinum catalyst supported on activated carbon (AC) and calcium phosphate (CP) has been developed that has remarkable activity for the selective hydrogenation of nitro compounds.
Zuverlässigkeitsanalyse für biegebeanspruchte Textilbetonbauteile
Authors: Rempel Sergej , Ricker Marcus , Hegger Josef
Published: February 2020

Zur Realisierung der bisherigen Bauprojekte mit textiler Bewehrung wurden Zustimmungen im Einzelfall (ZiE) und allgemeine bauaufsichtliche Zulassungen (abZ) benötigt, wofür ausführliche, kosten‐ sowie zeitintensive Tragfähigkeits‐ und Gebrauchstauglichkeitsuntersuchungen durchgeführt werden mussten. Dabei waren vor allem Untersuchungen zur Biegetragfähigkeit notwendig. Damit in Zukunft die Anzahl der Versuche deutlich reduziert werden kann, ist ein praxistaugliches Biegebemessungsmodell erforderlich. Neben der Anwenderfreundlichkeit sollen diese Biegebemessungsmodelle alle Anforderungen an die Zuverlässigkeit erfüllen, damit die Tragwerke das von der Gesellschaft und den Nutzern geforderte Sicherheitsniveau erreichen. Durch probabilistische Berechnungen sind in Abhängigkeit von der Qualität der verfügbaren stochastischen Modelle für die Eingangsparameter quantitative Aussagen zur Versagenswahrscheinlichkeit möglich. Damit eine allgemeine Aussage zur Zuverlässigkeit von biegebeanspruchten Betonbauteilen mit textiler Bewehrung möglich ist, sind die verschiedenen Einflussparameter, wie z. B. statische Nutzhöhe d, Textilbruchspannung ft oder Betondruckfestigkeit fc, innerhalb des praktischen Anwendungsbereichs zu variieren. Als Resultat dieser Betrachtungen kann ein für den praktischen Anwendungsbereich gültiger Teilsicherheitsbeiwert γT für eine textile Bewehrung in biegebeanspruchten Betonbauteilen angegeben werden, der das geforderte Sicherheitsniveau erreicht. In diesem Beitrag werden die probabilistischen Berechnungen vorgestellt und ein Teilsicherheitsbeiwert γT für die textile Bewehrung vorgeschlagen.
Engineering Pichia pastoris to improve S‐adenosyl‐l‐methionine production using systems metabolic strategies
Authors: Qin Xiulin , Lu Junjie , Zhang Yin , Wu Xiaole , Qiao Xuefeng , Wang Zhipeng , Chu Ju , Qian Jiangchao
Published: February 2020

S‐adenosyl‐l‐methionine (SAM) is a highly valued chemical that can be used as a dietary supplement and has been used to treat depression, osteoarthritis, and liver problems as well. We adopted systems metabolic engineering strategies to improve SAM production in a high‐producing strain (GS115/DS56). First, the cystathionine β‐synthase gene CYS4 was downregulated using a weak promoter PG12 to reduce the removal of homocysteine from SAM cycle, thus leading to a 48.8% increase in the SAM titer (1.68 g/L) from the strain G12‐CBS, while preventing cysteine auxotrophy induced by deletion of this essential gene. Subsequently, the SAM titer of G12‐CBS was improved to 13.01 g/L in 15‐L fed‐batch fermentation using the optimal l‐methionine feeding strategy. Finally, based on comparative transcriptomics, five genes were chosen and overexpressed for further enhancement of SAM production. Among them, GDH2 and ACS2 exhibited positive effects, and the additional overexpression of GDH2 led to a 52.3% increase of titer (2.71 g/L) in shake flask culture. Therefore, the engineered Pichia pastoris strains can be utilized in industrial production of SAM using a simple and cost‐effective process, and these approaches could be employed for improving the production of other chemicals by P. pastoris.
Recurrence following hemithyroidectomy in patients with low- and intermediate-risk papillary thyroid carcinoma
Authors: Ahn D , Lee G J , Sohn J H
Published: February 2020

Background

This study evaluated the incidence, patterns and risk factors for recurrence after hemithyroidectomy in patients with low- and intermediate-risk papillary thyroid carcinoma (PTC), and verified the predictive role of the risk staging systems in current use.

Methods

The clinicopathological characteristics and risk categories were analysed according to recurrence in patients who underwent hemithyroidectomy for low- and intermediate-risk conventional PTC, and were followed up for at least 24 months. Five risk staging systems were used to stratify risk: the 2015 American Thyroid Association (ATA) system; Age, Metastases, Extent and Size (AMES) system; Metastases, Age, Complete resection, Invasion and Size (MACIS) system; Grade, Age, Metastases, Extent and Size (GAMES) system; and the eighth AJCC system.

Results

The study included 561 patients; 93·9 per cent of the study population (527 of 561) had a papillary thyroid microcarcinoma 1 cm or smaller in size. At a mean follow-up of 83 months, 25 patients (4·5 per cent) had recurrence; among these patients, 23 (92%) presented with a remaining thyroid lobe. Multifocality was significantly associated with recurrence in univariable and multivariable analyses (adjusted hazard ratio 3·16, 95 per cent c.i. 1·25 to 7·98; P = 0·015). Disease-free survival (DFS) varied according to multifocality (P = 0·010). The five risk staging systems were not associated with recurrence, and their Harrell's C-index ranged from 0·500 to 0·531. DFS rates did not differ between the risk categories in each system.

Conclusion

Although the recurrence rate after hemithyroidectomy in patients with low- and intermediate-risk PTC was low, meticulous follow-up focusing on the remaining thyroid lobe is needed for early detection and timely management of recurrence. The risk scoring systems in current use have no predictive role in these patients.
Nomogram for predicting overall survival in stage II‐III colorectal cancer
Authors: Liu Jungang , Huang Xiaoliang , Yang Wenkang , Li Chan , Li Zhengtian , Zhang Chuqiao , Chen Shaomei , Wu Guo , Xie Weishun , Wei Chunyin , Tian Chao , Huang Lingxu , Jeen Franco , Mo Xianwei , Tang Weizhong
Published: February 2020

Purpose

The overall survival (OS) of patients diagnosed with stage II‐III colorectal cancer (CRC) can vary greatly, even between patients with the same tumor stage. We aimed to design a nomogram to predict OS in resected, stage II‐III CRC and stratify patients with CRC into different risk groups.

Patients and Methods

Based on data from 873 patients with CRC, we used univariate Cox regression analysis to select the significant prognostic features, which were subjected to the least absolute shrinkage and selection operator (LASSO) regression algorithm for feature selection. Cross‐validation was used to confirm suitable tuning parameters (λ) for LASSO logistic regression. Then, the nomogram was used to estimate 3‐ and 5‐year OS based on the multivariable Cox regression model. The survival curves of the two groups were produced using the Kaplan‐Meier method. Risk group stratification was performed to assess the predictive capacity of the nomogram.

Results

Preoperative mean platelet volume, preoperative platelet distribution width, monocytes, and postoperative adjuvant chemotherapy were identified as independent prognostic factors by LASSO regression and integrated for the construction of the nomogram. The nomogram provided good discrimination, with C‐indices of 0.67 and 0.69 for the training and validation sets, respectively. Calibration plots illustrated excellent agreement between the nomogram predictions and actual observations for 3‐ and 5‐year OS. Moreover, a significant difference in OS was shown between patients stratified into different risk groups (P < .001).

Conclusion

We constructed and validated an original predictive nomogram for OS in patients with CRC after surgery, facilitating physicians to appraise the individual survival of postoperative patients accurately and identify high‐risk patients who need more aggressive treatment and follow‐up strategies.
Genetic association analysis identifies a role for ANO5 in prostate cancer progression
Authors: Yu Chia‐Cheng , Chen Lih‐Chyang , Huang Chao‐Yuan , Lin Victor C. , Lu Te‐Ling , Lee Cheng‐Hsueh , Huang Shu‐Pin , Bao Bo‐Ying
Published: February 2020

Anoctamins were originally identified as a family of calcium‐activated chloride channels, but recently their roles in the development of different types of malignancies were suggested. Here, we evaluated the associations between 211 common single‐nucleotide polymorphisms in 10 anoctamin genes with biochemical recurrence (BCR) after radical prostatectomy (RP) for localized prostate cancer. Four SNPs (ANO4 rs585335, ANO5 rs4622263, ANO7 rs62187431, and ANO10 rs118005571) remained significantly associated with BCR after multiple test correction (P < .05 and q = 0.232) and adjustment for known prognostic factors. Expression quantitative trait loci analysis found that ANO5 rs4622263 C and ANO10 rs118005571 C alleles were associated with decreased mRNA expression levels. Moreover, lower expression of ANO5 was correlated with more advanced tumors and poorer outcomes in two independent prostate cancer cohorts. Taken together, ANO5 rs4622263 was associated with BCR, and ANO5 gene expression was correlated with patient prognosis, suggesting a pivotal role for ANO5 in prostate cancer progression.
Improvement of Oxygen‐Depolarized Cathodes in Highly Alkaline Media by Electrospinning of Poly(vinylidene fluoride) Barrier Layers
Authors: Gebhard Marcus , Tichter Tim , Franzen David , Paulisch Melanie C. , Schutjajew Konstantin , Turek Thomas , Manke Ingo , Roth Christina
Published: February 2020

Oxygen‐depolarized cathodes (ODC) were developed for chlor‐alkali electrolysis to replace the hydrogen evolution reaction (HER) by the oxygen reduction reaction (ORR) providing electrical energy savings up to 30 % under industrially relevant conditions. These electrodes consist of micro sized silver grains and polytetrafluoroethylene, forming a homogeneous electrode structure. In this work, we report on the modification of ODCs by implementing an electrospun layer of hydrophobic poly(vinylidene fluoride) (PVDF) into the ODC structure, leading to a significantly enhanced ORR performance. The modified electrodes are physically characterized by liquid flow porometry, contact angle measurements and scanning electron microscopy. Electrochemical characterization is performed by linear sweep voltammetry and chronopotentiometry. The overpotential for ORR at application near conditions could be reduced by up to 75 mV at 4 kA m−2 and 135 mV at a higher current density of 9.5 kA m−2. Consequently, we propose that modifying ODCs by electrospinning is an effective and cost‐efficient way to further reduce the energy demand of the ORR in highly alkaline media.
Semi‐supervised covariate shift modelling of spectroscopic data
Authors: Larsen Jacob Søgaard , Clemmensen Line , Stockmarr Anders , Skov Thomas , Larsen Anders , Ersbøll Bjarne Kjær
Published: February 2020

Utilizing the full potential of spectroscopic calibrations in changing environments typically requires large amounts of maintenance and/or model updates as the presence of new sources of variation makes the calibration insufficient. In this paper, we propose the use of unlabelled data in order to automize such maintenance. We extend the Linear Joint Trained Framework by Ryan and Culp such that the shifts in mean value and covariance structure are modelled explicitly. The extension yields a more flexible framework, and thus we are able to regularize the final calibration in a more desirable manner. The proposed framework is tested on a simulated dataset where we simulate three different realistic scenarios that are either challenging for classic multivariate calibrations or challenging when adding unlabelled data. Furthermore, we test our framework on two real datasets across multiple data splits. We find that our framework not only achieves the same (and in some instances lower) error level as that of the baseline model (NARE), it also yields better calibration models than the Linear Joint Trained Framework.
Spark plasma sintering of alumina/yttria‐doped silicon carbide
Authors: Popolizio Antonio , Biesuz Mattia , Molinari Alberto , Sglavo Vincenzo M.
Published: February 2020

Silicon carbide possesses exceptional mechanical and thermal properties, but its densification by conventional sintering is often very difficult. In the present work, silicon carbide was consolidated by spark plasma sintering in the presence of alumina and yttria. The results pointed out that the use of a single oxide does not enhance the sintering kinetics significantly, while the contemporaneous addition of both oxides has a beneficial effect on densification, with a relative density increase of about 10%. Interestingly, the oxide doping allows to double the room‐temperature flexural strength.
N‐Doped Graphdiyne Coating for Dendrite‐Free Lithium Metal Batteries
Authors: Shang Hong , Gu Yu , Wang Yingbin , Zuo Zicheng
Published: February 2020

Nonuniform nucleation is one of the major reasons for the dendric growth of metallic lithium, which leads to intractable problems in the efficiency, reversibility, and safety in Li‐based batteries. To improve the deposition of metallic Li on Cu substrates, herein, a freestanding current collector (NGDY@CuNW) is formed by coating pyridinic nitrogen‐doped graphdiyne (NGDY) nanofilms on 3D Cu nanowires (CuNWs). Theoretical predictions reveal that the introduction of nitrogen atoms in the 2D GDY can enhance the binding energy between the Li atom and GDY, therefore improving the lithiophilicity on the surface for uniform lithium nucleation and deposition. Accordingly, the deposited metallic Li on the NGDY@CuNW electrode exhibits a dendrite‐free morphology, resulting in significant improvements in terms of the reversibility with a high coulombic efficiency (CE) and a long lifespan at high current density. Our research provides an efficient method to control the surface property of Cu, which also will be instructive for other metal batteries.
One Guest or Two? A Crystallographic and Solution Study of Guest Binding in a Cubic Coordination Cage
Authors: Taylor Christopher G. P. , Argent Stephen P. , Ludden Michael D. , Piper Jerico R. , Mozaceanu Cristina , Barnett Sarah A. , Ward Michael D.
Published: February 2020

Invited for the cover of this issue is the group of Michael D. Ward at the University of Warwick. The image depicts structures of the host cage containing one guest or two guests. Read the full text of the article at 10.1002/chem.201905499.
Enhanced and Heteromolecular Guest Encapsulation in Nonporous Crystals of a Perfluorinated Triketonato Dinuclear Copper Complex
Authors: Ikumura Yoshinori , Habuka Yusuke , Sakai Shunichiro , Shinohara Takanori , Yuge Hidetaka , Rzeznicka Izabela I. , Hori Akiko
Published: February 2020

The flexible host framework of a perfluorinated mononuclear copper complex, [Cu(L1)2] (1, HL1=3‐hydroxy‐1,3‐bis(pentafluorophenyl)‐2‐propen‐1‐one), with a CuO4 core reversibly encapsulated several organic guest molecules through electrostatic interactions in its crystals. Hence, the corresponding dinuclear complex, [Cu2(L2)2] (2, H2L2=1,5‐dihydroxy‐1,5‐bis(pentafluorophenyl)‐1,4‐pentadien‐3‐one), was prepared to enhance guest recognition and the ability to separate molecular mixtures. Complex 2 comprises a Cu2O6 core and four pentafluorophenyl groups. In crystal 2, cavities are formed on the axial sites of the metal core that are surrounded by pentafluorophenyl groups. The crystal of 2 encapsulates various guest molecules, that is, benzene (3), toluene (4), xylene (5), mesitylene (6), durene (7), and anisole (8). X‐ray crystallographic and thermogravimetric (TG) studies show that three guest molecules are present in the crystal cavities. The number of guest molecules found in complex 2 was higher than that in complex 1, for example, (2)3⋅(6)10>1⋅(6)2, (2)2⋅(7)7>1⋅7, or 2⋅(8)3>1⋅(8)2. Naphthalene (9), was encapsulated in 2 to give 2⋅(9)3, but not in 1. In the crystal of complex 2, heteromolecular guest encapsulation was confirmed, designated as 2⋅(3)2⋅9. TG analysis indicates that the thermal stability of the guest‐included crystals of 2 is higher than that of 1.
Precursor Design Strategies for the Low‐Temperature Synthesis of Functional Oxides: It's All in the Chemistry
Authors: Marchal Wouter , De Sloovere Dries , Daenen Michael , Van Bael Marlies K. , Hardy An
Published: February 2020

Solution‐based (multi)metal oxide synthesis has been carried out employing a large diversity of precursor routes. The selection of an appropriate synthesis strategy is frequently dictated by the resulting material properties, although this choice should also be based on green chemistry principles, atom economy considerations and energy efficiency. In order to limit the required energy budget to convert the chemical precursor to the target oxide material, various approaches were recently reported. This Review summarizes some frequently encountered low‐temperature routes, critically assessing their application window and advantages. More specifically, auto‐combustion synthesis, UV‐assisted decomposition routes, sol–gel network adjustments and precursor complex design concepts are discussed. It is expected that this toolbox of low‐temperature strategies may assist further progress in the field, stimulating novel applications, such as flexible electronics or organic–oxide hybrid materials, which are very sensitive to the temperature requirements.
Tandem Catalysis of Ammonia Borane Dehydrogenation and Phenylacetylene Hydrogenation Catalyzed by CeO2 Nanotube/Pd@MIL‐53(Al)
Authors: Li Xinyu , Song Lianghao , Gao Daowei , Kang Baotao , Zhao Huaiqing , Li Cuncheng , Hu Xun , Chen Guozhu
Published: February 2020

Heterogeneously catalyzed, selective hydrogenation in the liquid phase is widely used in industry for the synthesis of chemicals. However, it can be a challenge to prevent active nanoparticles (e.g., palladium) from aggregation/leaching and meanwhile achieve high conversion as well as selectivity, especially under mild conditions. To address these issues, a CeO2 nanotube/Pd@MIL‐53(Al) sandwich‐structured catalyst has been prepared in which the MIL‐53(Al) porous shell can efficiently stabilize the palladium nanoparticles. When this catalyst was used in a tandem catalytic reaction involving the dehydrogenation of ammonia borane and the hydrogenation of phenylacetylene, remarkably, the hydrogen released from the dehydrogenation of ammonia borane boosted the catalytic process, with 100 % conversion of phenylacetylene and a selectivity of 96.2 % for styrene, even at room temperature and atmospheric pressure, within 1 min. This work therefore provides an alternative strategy for balancing the conversion and selectivity of liquid‐phase hydrogenation reactions.
Activation of Aromatic C−F Bonds by a N‐Heterocyclic Olefin (NHO)
Authors: Mandal Debdeep , Chandra Shubhadeep , Neuman Nicolás I. , Mahata Alok , Sarkar Arighna , Kundu Abhinanda , Anga Srinivas , Rawat Hemant , Schulzke Carola , Mote Kaustubh R. , Sarkar Biprajit , Chandrasekhar Vadapalli , Jana Anukul
Published: February 2020

A N‐heterocyclic olefin (NHO), a terminal alkene selectively activates aromatic C−F bonds without the need of any additional catalyst. As a result, a straightforward methodology was developed for the formation of different fluoroaryl‐substituted alkenes in which the central carbon–carbon double bond is in a twisted geometry.
Visible‐Light Controlled Divergent Catalysis Using a Bench‐Stable Cobalt(I) Hydride Complex
Authors: Bergamaschi Enrico , Beltran Frédéric , Teskey Christopher J.
Published: February 2020

While the use of visible light in conjunction with transition metal catalysis offers powerful opportunities to switch between on/‐off states of catalytic activity, the next frontier would be the ability to switch the actual function of the catalyst and resulting products. Here we report such an example of multi‐dimensional catalysis. Featuring an easily prepared, bench‐stable cobalt(I) hydride complex in conjunction with pinacolborane, we can switch the reaction outcome between two widely employed transformations, olefin migration and hydroboration, with visible light as the trigger.
From random to regular: Variation in the patterning of retinal mosaics*
Authors: Keeley Patrick W. , Eglen Stephen J. , Reese Benjamin E.
Published: February 2020

The various types of retinal neurons are each positioned at their respective depths within the retina where they are believed to be assembled as orderly mosaics, in which like‐type neurons minimize proximity to one another. Two common statistical analyses for assessing the spatial properties of retinal mosaics include the nearest neighbor analysis, from which an index of their “regularity” is commonly calculated, and the density recovery profile derived from autocorrelation analysis, revealing the presence of an exclusion zone indicative of anti‐clustering. While each of the spatial statistics derived from these analyses, the regularity index and the effective radius, can be useful in characterizing such properties of orderly retinal mosaics, they are rarely sufficient for conveying the natural variation in the self‐spacing behavior of different types of retinal neurons and the extent to which that behavior generates uniform intercellular spacing across the mosaic. We consider the strengths and limitations of these and other spatial statistical analyses for assessing the patterning in retinal mosaics, highlighting a number of misconceptions and their frequent misuse. Rather than being diagnostic criteria for determining simply whether a population is “regular,” they should be treated as descriptive statistics that convey variation in the factors that influence neuronal positioning. We subsequently apply multiple spatial statistics to the analysis of eight different mosaics in the mouse retina, demonstrating conspicuous variability in the degree of patterning present, from essentially random to notably regular. This variability in patterning has both a developmental as well as a functional significance, reflecting the rules governing the positioning of different types of neurons as the architecture of the retina is assembled, and the distinct mechanisms by which they regulate dendritic growth to generate their characteristic coverage and connectivity.
On automated cloud bursting and hybrid cloud setups using Apache Mesos
Authors: Haugerud Hårek , Xue Noha , Yazidi Anis
Published: February 2020

Hybrid cloud technology is becoming increasingly popular as it merges private and public clouds to bring the best of two worlds together. However, due to the heterogeneous cloud installation, facilitating a hybrid cloud setup is not simple. Despite some commercial solutions being available to build a hybrid cloud, an open‐source implementation is still unavailable. In this paper, we try to bridge the gap by providing an open‐source implementation using the power of Apache Mesos. We build a hybrid cloud on top of multiple cloud platforms, private and public. Through comprehensive experimental results, we show that our solution is able to ensure resource bursting by leveraging the power of the public cloud.
A proof‐of‐principle bite force study using two experimental test denture adhesives and a currently marketed denture adhesive
Authors: Atassi Mounir , Ling Martin R. , Oneglia Kathy , Dilauro Thomas S.
Published: February 2020

Objectives

This proof‐of‐principle, single‐center, randomized, examiner‐blind, crossover study compared two experimental polyvinyl acetate (PVA)‐based denture adhesives (Test Adhesives 1 and 2) with a marketed reference polymethyl vinyl ether/maleic anhydride (PMV/MA)‐based adhesive and no adhesive using incisal bite force area over baseline over 12 hr (AOB0–12) in participants with an at least moderately well‐fitting complete maxillary denture. Previous in vitro studies suggested the experimental denture adhesives provided superior performance.

Materials and Methods

Participants were randomized to a treatment sequence such that each received each treatment once. Prior to treatment application (baseline) and at 0.5, 1, 3, 6, 9, and 12 hr following the application, participants bit on a force transducer until their maxillary denture dislodged. Between‐treatment differences in AOB0–12 were analyzed using analysis of covariance. For study validity, the reference adhesive was compared with no adhesive. Participants were asked to rate sensory experiences and ease of denture removal.

Results

Twenty‐three participants were included in the modified intent‐to‐treat population. Although Test Adhesives 1 and 2 had a higher mean AOB0–12 than no adhesive, differences were not statistically significant. No statistically significant difference was also found between the reference adhesive and no adhesive; hence, study validity was not attained. Participants did not report any clear differences between the test or reference adhesives in terms of taste or feel; however, dentures were easier to remove with the test adhesives versus reference. No treatment‐related adverse events were reported.

Conclusion

Neither the experimental PVA‐based denture adhesives nor the PMV/MA‐based reference product demonstrated a statistically significant difference in incisal bite force AOB0‐12 compared with no adhesive. The reasons for these unexpected results is unclear; they suggest that findings of in vitro tests for denture adhesive performance are not always translated to in vivo performance (Clinicaltrials.gov: NCT02937870).
Interdigitated Hierarchical Integration of an Efficient Lateral Perovskite Single‐Crystal Solar Cell
Authors: Park Jinseon , Bak Yeong Eun , Lee Lynn , Choi Hyosung , Khan Mahmood Alam , Sung Myung M.
Published: February 2020

Single‐crystal perovskite thin films were prepared by a scalable, one‐step, geometrically confined lateral crystal growth (GC‐LCG) method on a patterned rolling mold and used for a photovoltaic study. A record solar cell efficiency of 9.50 % under 0.1 sun with an electrode spacing of 1.5 μm is attained in lateral single‐crystal perovskite materials. Moreover, successful integration for high‐source‐power‐generation interdigitated electrode units patterned in series (1×4), parallel (4×1), and combination (4 series×4 parallel) configurations is devised and affords maximum efficiencies of 7.99, 8.19, and 7.96 %, respectively. Additionally, the cell performances under various illumination intensities (0.1, 0.2, 0.4, 0.6, 0.8, 1.0 sun) to mimic daily sunshine angles and an indoor environment at 1000 lux are elucidated for which short‐circuit current (JSC) values (19.60 mA cm−2 and η=7.43 %) under 1.0 sun and a significant efficiency of 8.13 % under indoor conditions are obtained. This work represents a significant step towards next‐generation, efficient, lateral photovoltaics for possible module integration.