bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lithium Accommodation in a Redox‐Active Covalent Triazine Framework for High Areal Capacity and Fast‐Charging Lithium‐Ion Batteries
Authors: Buyukcakir Onur , Ryu Jaegeon , Joo Se Hun , Kang Jieun , Yuksel Recep , Lee Jiyun , Jiang Yi , Choi Sungho , Lee Sun Hwa , Kwak Sang Kyu , Park Soojin , Ruoff Rodney S. 
Published: July 2020

AbstractThe synthesis of a new type of redox‐active covalent triazine framework (rCTF) material, which is promising as an anode for Li‐ion batteries, is reported. After activation, it has a capacity up to ≈1190 mAh g−1 at 0.5C with a current density of 300 mA g−1 and a high cycling stability of over 1000 discharge/charge cycles with a stable Coulombic efficiency in an rCTF/Li half‐cell. This rCTF has a high rate performance, and at a charging rate of 20C with a current density of 12 A g−1 and it functions well for over 1000 discharge/charge cycles with a reversible capacity of over 500 mAh g−1. By electrochemical analysis and theoretical calculations, it is found that its lithium‐storage mechanism involves multi‐electron redox‐reactions at anthraquinone, triazine, and benzene rings by the accommodation of Li. The structural features and progressively increased structural disorder of the rCTF increase the kinetics of infiltration and significantly shortens the activation period, yielding fast‐charging Li‐ion half and full cells even at a high capacity loading.
Structural Changes of 2D FexMn1−xO2 Nanosheets for Low‐Temperature Growth of Carbon Nanotubes
Authors: Lim Joohyun , Jin Xiaoyan , Hwang Seong‐Ju , Scheu Christina 
Published: July 2020

AbstractThe synthesis of carbon nanotubes (CNTs) is usually done by metallic catalysts with a gaseous carbon precursor at high temperature. Yet, mild synthesis conditions can broaden the application of CNTs and their composites. In the present work, it is unraveled why partially substituted Fe ions in 2D MnO2 nanosheets lead to the growth of CNTs at low temperatures of 400−500 °C. The local formation of Fe3C by carbon precursor explains the unusually high catalytic activity of 2D FexMn1−xO2 nanosheets for preparing CNTs. Finally, Fe3C is oxidized to Fe3C/FeOx yolk/shell morphology in ambient atmosphere after the CNT formation reaction. These results shed light on the development of novel catalyst materials that allow for efficiently prepare CNTs under mild conditions for their wider use in energy‐harvesting applications.
Directly Grown Vertical Graphene Carpets as Janus Separators toward Stabilized Zn Metal Anodes
Authors: Li Chao , Sun Zhongti , Yang Tian , Yu Lianghao , Wei Nan , Tian Zhengnan , Cai Jingsheng , Lv Jiaze , Shao Yuanlong , Rümmeli Mark H. , Sun Jingyu , Liu Zhongfan 
Published: July 2020

AbstractZinc metal anode has garnered a great deal of scientific and technological interest. Nevertheless, major bottlenecks restricting its large‐scale utilization lie in the poor electrochemical stability and unsatisfactory cycling life. Herein, a Janus separator is developed via directly growing vertical graphene (VG) carpet on one side of commercial glass fiber separator throughout chemical vapor deposition. A simple air plasma treatment further renders the successful incorporation of oxygen and nitrogen heteroatoms on bare graphene. Thus‐derived 3D VG scaffold affording large surface area and porous structure can be viewed as a continuation of planar zinc anode. In turn, the Janus separator harvests homogenous electric field distribution and lowered local current density at the interface of the anode/electrolyte, as well as harnesses favorable zincophilic feature for building‐up uniform Zn ionic flux. Such a separator engineering enables an impressive rate and cycle performance (93% over 5000 cycles at 5 A g−1) for Zn‐ion hybrid capacitors and outstanding energy density (182 Wh kg−1) for V2O5//Zn batteries, respectively. This strategy with large scalability and cost‐effectiveness represents a universal route to protect prevailing metal anodes (Zn, Na, K) in rechargeable batteries.
High‐Resolution 3D Printed Photonic Waveguide Devices
Authors: Gao Hongwei , Chen George F. R. , Xing Peng , Choi Ju Won , Low Hong Yee , Tan Dawn T. H. 
Published: July 2020

AbstractPhotonic building blocks fabricated using two‐photon polymerization laser lithography are reported. 3D polymer structures are fabricated using a direct laser writing process with nonlinear two‐photon absorption in photosensitive material. The 3D photonic structures include 3D photonic waveguides, Bragg gratings, and resonators. In particular, high‐quality spiral and air‐bridge waveguides providing 3D light guiding beyond a single plane are demonstrated. Sub‐micrometer features as well as unique coupling interfaces with 1.6 dB coupling losses and large 3 dB bandwidth are also demonstrated. Experimental characterization reveals the good transmission performance of the fabricated photonic devices. In addition, the waveguides are demonstrated to support 30 Gb s−1 NRZ (nonreturn to zero) and 56 Gb s−1 PAM4 (pulse amplitude modulation 4) high‐speed data. Small power penalties of 0.7 dB for NRZ (BER = 10−12) and 1.5 dB for PAM4 (BER = 10−6) are obtained.
Targeting Soluble Epoxide Hydrolase with TPPU Alleviates Irradiation‐Induced Hyposalivation in Mice via Preventing Apoptosis and Microcirculation Disturbance
Authors: Zhang Yaoyang , Bai Yuwen , Bai Jie , Li Lijun , Gao Lu , Wang Fu 
Published: July 2020

AbstractIR irradiation‐induced dysfunction of the salivary gland and hyposalivation are one of the main complications of radiotherapy treatment for malignant head and neck tumors, and its mechanisms are not fully understood. IR‐induced microcirculation disturbance and apoptosis is one of the most important mechanisms. Most recent studies have focused on the regenerative effects of epoxyeicosatrienoic acids (EETs) through the process of increased angiogenesis. This study suggests that increasing endogenous EETs by the soluble epoxide hydrolase (sEH) inhibitor TPPU can reverse dysfunctional salivary glands and hyposalivation by improving the associated microenvironment and tissue regeneration. The findings suggest that TPPU alleviates hyposalivation and histological lesions, increases angiogenesis and reduces apoptosis of acinar cells significantly in IR‐damaged mice. The results in vitro demonstrate that TPPU promotes the proliferation and inhibits apoptosis of human salivary gland (HSG) cells, and enhances the motility and angiogenesis of human umbilical vein endothelial cells (HUVECs). The results also suggest that TPPU‐induced synergy and crosstalk between acinar cells and vascular endothelial cells might contribute to angiogenesis. Together, this study proves the feasibility of targeting sEH using TPPU to promote angiogenesis and reduce apoptosis, and also indicates the potential of sEH inhibitors for functional reconstruction of IR‐induced salivary glands damage.
Demonstration of Wide Bandgap AlGaN/GaN Negative‐Capacitance High‐Electron‐Mobility Transistors (NC‐HEMTs) Using Barium Titanate Ferroelectric Gates
Authors: Chandrasekar Hareesh , Razzak Towhidur , Wang Caiyu , Reyes Zeltzin , Majumdar Kausik , Rajan Siddharth 
Published: July 2020

AbstractA negative‐capacitance high electron mobility transistor (NC‐HEMT) with low hysteresis in the subthreshold region is demonstrated in the wide bandgap AlGaN/GaN material system using sputtered BaTiO3 as a “weak” ferroelectric gate in conjunction with a conventional SiNx dielectric. An enhancement in the capacitance for BaTiO3/SiNx gate stacks is observed in comparison to control structures with SiNx gate dielectrics directly indicating the negative capacitance contribution of the ferroelectric BaTiO3 layer. A significant reduction in the minimum subthreshold slope for the NC‐HEMTs is obtained in contrast to standard metal‐insulator‐semiconductor HEMTs with SiNx gate dielectrics—97.1 mV dec−1 versus 145.6 mV dec−1—with almost no hysteresis in the ID–VG transfer curves. These results are promising for the integration of ferroelectric perovskite oxides with III‐Nitride devices toward NC‐field‐effect transistor switches with reduced power consumption.
Interfacial Effects in Lithium and Sodium Batteries
Authors: Usiskin Robert , Maier Joachim 
Published: July 2020

AbstractModern batteries are composite systems that contain a high density of interfaces. Device performance is often determined by effects that emerge at interfaces. A survey of these phemonena is presented here. At essentially all interfaces, space charge layers are present that can modify the charge transport, transfer, and storage properties. Practical interfaces show additional complex phenomena, including passivation layer formation, current constriction, partial blocking of mobile species, and a variety of other effects. Some characteristic interfacial issues associated with the four mass storage modes are described and a few specific points that arise in solid state batteries are discussed.
DYNC1H1‐related disorders: A description of four new unrelated patients and a comprehensive review of previously reported variants
Authors: Amabile Sonia , Jeffries Lauren , McGrath James M. , Ji Weizhen , Spencer‐Manzon Michele , Zhang Hui , Lakhani Saquib A. 
Published: July 2020

AbstractHeterozygous variants in the DYNC1H1 gene have been associated chiefly with intellectual disability (ID), malformations in cortical development (MCD), spinal muscular atrophy (SMA), and Charcot–Marie‐Tooth axonal type 20 (CMT), with fewer reports describing other intersecting phenotypes. To better characterize the variable syndromes associated with DYNC1H1, we undertook a detailed analysis of reported patients in the medical literature through June 30, 2019. In sum we identified 200 patients from 143 families harboring 103 different DYNC1H1 variants, and added reports for four unrelated patients identified at our center, three with novel variants. The most common features associated with DYNC1H1 were neuromuscular (NM) disease (largely associated with variants in the stem domain), ID with MCD (largely associated with variants in the motor domain), or a combination of these phenotypes. Despite these trends, exceptions are noted throughout. Overall, DYNC1H1 is associated with variable neurodevelopmental and/or neuromuscular phenotypes that overlap. To avoid confusion DYNC1H1 disorders may be best categorized at this time by more general descriptions rather than phenotype‐specific nomenclature such as SMA or CMT. We therefore propose the terms: DYNC1H1‐related NM disorder, DYNC1H1‐related CNS disorder, and DYNC1H1‐related combined disorder. Our single center's experience may be evidence that disease‐causing variants in this gene are more prevalent than currently recognized.
The study of short‐shot water‐assisted injection molding of short glass fiber reinforced polypropylene
Authors: Yu Zhong , Liu He‐Sheng , Kuang Tang‐Qing , Huang Xing‐Yuan , Chen Zhong‐Shi , Zhang Wei , Zhang Kai 
Published: July 2020

Abstractwater penetration length and fiber orientation (along the melt flow direction) are important indicators for water‐assisted injection molding products of the fiber‐reinforced polymer. The effects of melt short shot size, water injection delay time and water injection pressure on these two important indexes are analyzed theoretically and experimentally. The study found that with the increase of the melt short shot size, the extension of the water injection delay time and the increase of the water injection pressure, the water penetration length changed from 216 to 96 mm, 170 to 210 mm, and 215 to 180 mm, respectively. Therefore, it can be known that melt short shot size has the greatest influence on water penetration length, followed by water injection delay time, and finally water injection pressure. Meantime, due to the fiber orientation and change degree of water‐assisted injection‐molded products along the melt flow direction, the fiber orientation in the water channel layer along the melt flow direction has the highest and lowest change degree, followed by the wall layer and finally the core layer. It can be known that the melt short shot size has the greatest influence on the fiber orientation and the degree of change along the melt flow direction, followed by the water injection delay time, and finally the water injection pressure.
Personal response systems through the prism of students' experiences
Authors: Mishra Deepti , Chew Esyin , Ostrovska Sofiya , Wong Jojo 
Published: July 2020

AbstractPersonal response systems (PRSs) today offer an opportunity to the field of education in terms of improving teaching and learning outcomes through active engagement in classrooms. The present paper investigates students' attitudes to different types of PRSs, namely, Socrative and Clickers. Both qualitative and quantitative data are gathered and classified. The performed thematic analysis reveals major categories within the framework of this study, namely educational efficacy, psychological aspects, technology‐related issues, and administrative issues. It has been found that Socrative fares better in the “educational efficacy” and “administrative issues,” whereas Clickers outperforms Socrative in the “technological‐related issues.” It is worth pointing out that both Socrative and Clickers are tantamount in “psychological aspects” yielding no negative experiences. The results of this study reveal that two main factors, cost and technological infrastructure, are determinative in the incorporation and appreciation of such systems in an educational setting.
Association of sonographic features and molecular subtypes in predicting breast cancer disease outcomes
Authors: Wang Haoyu , Yao Jiejie , Zhu Ying , Zhan Weiwei , Chen Xiaosong , Shen Kunwei 
Published: July 2020

AbstractBackgroundFeatures in preoperative ultrasound could predict the prognosis of triple‐negative breast cancer (TNBC), while its prognostic value in other molecular subtypes of breast cancer (BC) was unknown. The study aimed to assess the prognostic value of preoperative sonographic features, including orientations, on long‐term outcomes in BC and its association with different molecular subtypes.MethodsWomen diagnosed with invasive BC > 5 mm who underwent surgery were retrospectively reviewed. Clinical, pathological, and sonographic profiles were collected and recurrence‐free survival (RFS) and breast cancer‐specific survival (BCSS) were reported. Interactions between clinicopathological features and tumor orientations in predicting RFS and BCSS were analyzed. Competing risk model was performed to estimate prognostic values of sonographic features for RFS and BCSS.ResultsA total of 2812 patients were included. With a median follow‐up of 60.0 months, 268 (9.5%) patients suffered from recurrences and 104 (3.7%) died of BC. The prognostic values of vertical orientation in predicting RFS (P = .001) and BCSS (P = .001) were strongly associated with molecular subtypes. Non‐TNBC tumors with vertical orientation had less recurrence events compared with parallel orientation (6.3% vs 8.7%, P = .035), whereas failed to predict disease outcomes in multivariate analysis (P > .05). Oppositely, in TNBC, vertical orientation was associated with worse RFS (HR = 3.50; 95% confidence interval [CI] 1.69‐7.24; P < .001) and BCSS (HR = 6.36; 95% CI 2.86‐14.14; P < .001) in multivariate analysis with a 5‐year RFS and BCSS of 73.4% and 74.6%. Meanwhile, vertical orientation was related with smaller tumor size (P < .001), human epidermal growth factor receptor 2 nonamplification (P < .001), and lower Ki‐67 expression (P = .001) among non‐TNBC population, whereas TNBC tumors with vertical orientation had a higher burden of axillary lymph node metastases (2.8 ± 1.0 vs 1.4 ± 0.2, P = .001).ConclusionsPrognostic values of sonographic orientation in predicting BC disease outcomes were associated with molecular subtypes. Vertical orientation in preoperative sonogram may serve as a prognostic biomarker for TNBC patients.
Production of Propene from n‐Butanol: A Three‐Step Cascade Utilizing the Cytochrome P450 Fatty Acid Decarboxylase OleTJE
Authors: Bauer Daniel , Zachos Ioannis , Sieber Volker 
Published: July 2020

AbstractPropene is one of the most important starting materials in the chemical industry. Herein, we report an enzymatic cascade reaction for the biocatalytic production of propene starting from n‐butanol, thus offering a biobased production from glucose. In order to create an efficient system, we faced the issue of an optimal cofactor supply for the fatty acid decarboxylase OleTJE, which is said to be driven by either NAD(P)H or H2O2. In the first system, we used an alcohol and aldehyde dehydrogenase coupled to OleTJE by the electron‐transfer complex putidaredoxin reductase/putidaredoxin, allowing regeneration of the NAD+ cofactor. With the second system, we intended full oxidation of n‐butanol to butyric acid, generating one equivalent of H2O2 that can be used for the oxidative decarboxylation. As the optimal substrate is a long‐chain fatty acid, we also tried to create an improved variant for the decarboxylation of butyric acid by using rational protein design. Within a mutational study with 57 designed mutants, we generated the mutant OleTV292I, which showed a 2.4‐fold improvement in propene production in our H2O2‐driven cascade system and reached total turnover numbers >1000.
Fingerprinting of wheat protein profiles for improved distinction between wheat cultivars and species
Authors: Pronin Darina , Geisslitz Sabrina , Börner Andreas , Scherf Katharina A. 
Published: July 2020

AbstractBackground and objectivesWheat protein composition is commonly characterized by reversed‐phase (RP)‐HPLC‐UV after extraction of albumins/globulins, gliadins (ω5‐, ω1,2‐, α‐, and γ‐gliadins), and glutenins (high‐ and low‐molecular‐weight glutenin subunits). However, this traditional classification does not consider the individual distribution of peaks, resulting in loss of information on protein fingerprints. We developed a new approach to peak integration and evaluated its suitability to differentiate between wheat cultivars and species.FindingsIntegration events were performed every 20 s, and the relative proportions of the peaks were calculated. We compared the traditional and new integration methods on two sample sets, the first comprising 60 common wheat cultivars from 1891 to 2010 and the second comprising 40 common wheat, spelt, durum wheat, emmer, and einkorn cultivars. The new integration method performed better in differentiating old and modern common wheat cultivars and was also applicable to different wheat species.ConclusionsUnique cultivars were identified that stood out because of their protein composition. Four samples warrant further research to identify the specific proteins that are responsible for the differences.Significance and noveltyThe new integration allowed us to map the cultivar‐ and species‐specific fingerprints, identify cultivars with exceptional protein composition, and group similar cultivars.
Titanium‐catalyzed esterification reactions: beyond Lewis acidity
Authors: Wolzak Lukas A. , van der Vlugt Jarl Ivar , van den Berg Keimpe J. , Reek Joost N. H. , Tromp Moniek , Korstanje Ties J. 
Published: July 2020

AbstractEsterification is a key reaction and is used in many synthetic and industrial processes, yet the detailed mechanism of operation of often‐used (Lewis acid) catalysts is unknown and subject of little research. Here, we report on mechanistic studies of a titanium aminotriphenolate catalyst, using stoichiometric and catalytic reactions combined with kinetic data and density functional theory (DFT) calculations. While often only the Lewis acidity of the Ti‐center is taken into account, we found that the amphoteric nature of this catalyst, combining this Lewis acidity with Brønsted basicity of a Ti‐bound and in situ formed carboxylate group, is crucial for catalytic activity. Furthermore, hydrogen bonding interactions are essential to pre‐organize substrates and to stabilize various intermediates and transition states and thus enhancing the overall catalytic reaction. These findings are not only applicable to this class of catalysts, but could be important for many other esterification catalysts.
Acyclic Cucurbit[n]uril‐Type Receptors: Aromatic Wall Extension Enhances Binding Affinity, Delivers Helical Chirality, and Enables Fluorescence Sensing
Authors: Murkli Steven , Klemm Jared , King David , Zavalij Peter Y. , Isaacs Lyle 
Published: July 2020

AbstractWe report the linear extension from M1 to M2 to anthracene walled M3 which adopts a helical conformation (X‐ray) to avoid unfavorable interactions between sidewalls. M3 is water soluble (=30 mm) and displays enhanced optical properties (ϵ=1.28×105 m−1 cm−1, λmax=370 nm) relative to M2. The binding properties of M3 toward guests 1–29 were examined by 1H NMR and ITC. The M3⋅guest complexes are stronger than the analogous complexes of M2 and M1. The enhanced binding of M3 toward neuromuscular blockers 25, 27–29 suggests that M3 holds significant promise as an in vivo reversal agent. The changes in fluorescence observed for M3⋅guest complexes are a function of the relative orientation of the anthracene sidewalls, guest concentration, Ka, and guest electronics which rendered M3 a superb component of a fluorescence sensing array. The work establishes M3 as a next generation sequestering agent and a versatile component of fluorescence sensors.
The Butterfly Complex [{Cp*Cr(CO)3}2(μ,η1:1‐P4)] as a Versatile Ligand and Its Unexpected P1/P3 Fragmentation
Authors: Grünbauer Rebecca , Balázs Gábor , Scheer Manfred 
Published: July 2020

AbstractThe versatile coordination behavior of the P4 butterfly complex [{Cp*Cr(CO)3}2(μ,η1:1‐P4)] (1) towards Lewis acidic pentacarbonyl compounds of Cr, Mo and W is reported. The reaction of 1 with [W(CO)4(nbd)] (nbd=norbornadiene) yields the complex [{Cp*Cr(CO)3}2(μ3,η1:1:1:1‐P4){W(CO)4}] (2) in which 1 serves as a chelating P4 butterfly ligand. In contrast, reactions of 1 with [M(CO)4(nbd)] (M=Cr (a), Mo (b)) result in the step‐wise formation of [{Cp*Cr(CO)2}2(μ3,η3:1:1‐P4){M(CO)5}] (3 a,b) and [{Cp*Cr(CO)2}2‐(μ4,η3:1:1:1‐P4){M(CO)5}2] (4 a,b) which contain a folded cyclo‐P4 unit. Complex 4 a undergoes an unprecedented P1/P3‐fragmentation yielding the cyclo‐P3 complex [Cp*Cr(CO)2(η3‐P3)] (5) and the as yet unknown phosphinidene complex [Cp*Cr(CO)2{Cr(CO)5}2(μ3‐P)] (6). The identity of 6 is confirmed by spectroscopic methods and by the in situ formation of [{Cp*Cr(CO)2(tBuNC)}P{Cr(CO)5}2(tBuNC)] (7). DFT calculations throw light on the bonding situation of the reported products.
Neue Materialien
Authors: Schubert Ulrich 
Published: July 2020

ZusammenfassungFür Eigenschaften und damit Anwendungen von Materialien spielt nicht nur die chemische Zusammensetzung eine entscheidende Rolle, sondern auch strukturelle Parameter wie Kristallinität, Porosität, Dimensionalität oder makroskopische Form. „Neue Materialien“ sind durch die zielgerichtete Erschließung neuer Materialgruppen charakterisiert. Als Beispiele dafür werden Perowskite, metallorganische Gerüstverbindungen (MOF), metallische Gläser und anorganisch‐organische Hybridmaterialien exemplarisch diskutiert. Am Beispiel SiO2 wird gezeigt, wie bei Materialsynthesen verschiedene Methoden zum Einsatz kommen müssen, um unterschiedliche Erscheinungsformen der gleichen chemischen Verbindung zu erhalten. Eine herausfordernde Zukunftsaufgabe ist die Entwicklung von Materialsystemen, bei denen die Einzelkomponenten synergetisch zusammenwirken, um Eigenschaften oder Eigenschaftskombinationen zu erzielen, die über jene der Einzelkomponenten in nicht‐trivialer Weise hinausgehen.