bluuebunny/crossref_metadata_2025_split huggingface dataset:
Silk fibroin and ceramic scaffolds: Comparative in vitro studies for bone regeneration
Authors: Deshpande Rucha , Shukla Swati , Sayyad Raeesa , Salunke Shalmali , Nisal Anuya , Venugopalan Premnath 
Published: March 2021

AbstractSynthetic bone void fillers based on calcium ceramics are used to fill cavities in the bone and promote bone regeneration. More recently, silk fibroin (SF), a protein polymer obtained from Bombyx mori silkworm, has emerged as a promising material in bone void filling. In this work, we have compared the safety and efficacy of two types of silk fibroin‐based bone void fillers with currently used and commercially available ceramic bone void fillers (based on calcium sulphate, beta tricalcium phosphate, and beta tricalcium phosphate with hydroxyapatite). Further, we have also evaluated these two types of SF scaffolds, which have strikingly different structural attributes. The biocompatibility of these scaffolds was comparable as assessed by cytotoxicity assay, cellular adhesion assay, and immunogenic assay. Ability of the scaffolds to support differentiation of human mesenchymal stem cells (hMSCs) into an osteoblastic lineage was also evaluated in an in vitro differentiation experiment using reverse transcriptase polymerase chain reaction analysis. These results revealed that cells cultured on SF scaffolds exhibit higher expression of early to late markers such as Runx2, BMPs, collagen, osterix, osteopontin, and osteocalcin as compared with ceramic‐based scaffolds. This observation was further validated by studying the expression of alkaline phosphatase and calcium deposition. We also show that scaffolds made from same material of SF, but characterized by very different pore architectures, have diverse outcome in stem cell differentiation.
Corticosteroid therapy for 2019‐nCoV‐infected patients: A case series of eight mechanically ventilated patients
Authors: AL‐Rasheedi Mabrouk , Alhazmi Yasir , Almaqwashi Nouf , Mateq Ali Alreshidi , Kardam Abdulaziz , Sharaf Mohammod , Haider Khawaja Husnain 
Published: March 2021

AbstractHigh‐dose short‐term corticosteroid therapy is effective and produces favorable clinical outcome in patients with severe 2019‐nCoV infection who are candidates for mechanical ventilation with close monitor/ing for the adverse effect of corticosteroids.
Site‐specifically Incorporated Non‐Canonical Amino Acids into Pseudomonas alcaligenes Lipase to Hydrolyze L‐menthol Propionate among the Eight Isomers
Authors: Yu Zhonglang , Yu Haoran , Tang Haibin , Wang Zhe , Wu Jianping , Yang Lirong , Xu Gang 
Published: March 2021

AbstractIt remains a challenge to improve the diastereopreference of enzymes when there are multiple chiral centers in the substrate, mainly because the limited understanding of mechanism determining diastereoselectivity. Compared with natural amino acids, non‐canonical amino acids (ncAAs) provide side chains with wider range of functional groups and genetically encoded ncAAs have been applied in probing the complex enzyme mechanisms, improving catalytic activity, and even designing enzymes with new catalytic mechanisms. Here, the ncAAs were site‐specifically incorporated into a lipase (PaL) produced by Pseudomonas alcaligenes to explore its diastereopreference mechanism. Menthol propionate has three chiral centers, eight isomers in total. Molecular dynamics (MD) simulations were first applied to analyze the interactions between the active sites of PaL and the target substrate L‐menthol propionate. Furthermore, the four ncAAs (o‐bromophenylalanine, o‐chlorophenylalanine, p‐cyanophenylalanine and p‐aminophenylalanine) were substituted for 9 amino acids sites that potentially influenced three chiral centers and several variants with significant improvement in the diastereopreference were obtained. The diastereomer selectivity of beat variant at Ala253 was 100 % higher than that of the wild‐type. A linear relationship was found between volume, flexibility of the active center and diastereoselectivity.
Stabilization of a 4.7 V High‐Voltage Nickel‐Rich Layered Oxide Cathode for Lithium‐Ion Batteries through Boron‐Based Surface Residual Lithium‐Tuned Interface Modification Engineering
Authors: Wang Wenzhi , Wu Langyuan , Li Zhiwei , Huang Kangsheng , Chen Ziyang , Lv Chen , Dou Hui , Zhang Xiaogang 
Published: March 2021

AbstractResidual lithium on the surface and the resulting side reactions for high‐energy‐density Ni‐rich layered oxide cathodes principally impede their industrial application and trigger safety concerns. Herein, the successful construction of LiBO2−B2O3 co‐modified single‐crystal LiNi0.6Co0.2Mn0.2O2 (SC‐NCM) as a lithium‐ion battery (LIB) cathode is reported. Boric acid reacts with the surface residual lithium species to form such uniform coating on the SC‐NCM particles, which presents advanced rate and cycling capabilities. As the cathode materials for LIBs, LiBO2−B2O3 co‐modified SC‐NCM delivers a 141.9 mAh g−1 discharge specific capacity at 5 C between 3.0 and 4.5 V versus Li+/Li with 61.4 % capacity retention after 500 cycles, superior to the 20.8 % retention for the pristine SC‐NCM cathode. Besides, the LiBO2‐B2O3 protective layer substantially inhibits the unexpected phase transformation, effectively alleviates the mechanical microcracks, and stabilizes the cathode‐electrolyte interface, even at an extended operational potential window. The proposed microstructure‐modified SC‐NCM cathode provides an affordable and feasible design strategy for Ni‐rich SC‐NCM cathodes towards stable electrochemical performance and prolonged service life at high potential.
5‐Hydroxymethyl‐, 5‐Formyl‐ and 5‐Carboxydeoxycytidines as Oxidative Lesions and Epigenetic Marks
Authors: Schelter Florian , Kirchner Angie , Traube Franziska R. , Müller Markus , Steglich Wolfgang , Carell Thomas 
Published: March 2021

AbstractThe four non‐canonical nucleotides in the human genome 5‐methyl‐, 5‐hydroxymethyl‐, 5‐formyl‐ and 5‐carboxydeoxycytidine (mdC, hmdC, fdC and cadC) form a second layer of epigenetic information that contributes to the regulation of gene expression. Formation of the oxidized nucleotides hmdC, fdC and cadC requires oxidation of mdC by ten‐eleven translocation (Tet) enzymes that require oxygen, Fe(II) and α‐ketoglutarate as cosubstrates. Although these oxidized forms of mdC are widespread in mammalian genomes, experimental evidence for their presence in fungi and plants is ambiguous. This vagueness is caused by the fact that these oxidized mdC derivatives are also formed as oxidative lesions, resulting in unclear basal levels that are likely to have no epigenetic function. Here, we report the xdC levels in the fungus Amanita muscaria in comparison to murine embryonic stem cells (mESCs), HEK cells and induced pluripotent stem cells (iPSCs), to obtain information about the basal levels of hmdC, fdC and cadC as DNA lesions in the genome.
Stable Boron‐Containing Blue‐Photoluminescent Radicals
Authors: Feng Zhongtao , Chong Yuanyuan , Tang Shuxuan , Ruan Huapeng , Fang Yong , Zhao Yue , Jiang Jun , Wang Xinping 
Published: March 2021

Main observation and conclusionIt is highly urgent to develop synthetic strategies to make new category of stable luminescent radicals with desired emission wavelength. In this study, we have isolated two dioxoborocyclic radicals (3 and 4) by a direct synthetic route. They were characterized by UV, EPR spectroscopy and SQUID measurements. Their structures were obtained by single‐crystal X‐ray diffraction. Both radicals produce blue‐photoluminescence (458 nm for 3 and 478 nm for 4) by radiative decay from higher excited states (D2/D3) to the ground state (D0) based on theoretical calculation, breaking Kasha rule. The work records a new kind of radical emitters and the first stable radicals with blue emission bands.
Impact of terrorist attacks on social relationships
Authors: Van Overmeire Roel , Van Keer Rose‐Lima , Bilsen Johan 
Published: March 2021

AbstractBackgroundPeople that experience a trauma might also experience problems in their social relationships. However, how witnessing a terrorist attack influences social relationships is still understudied. This is important, as currently, there is more focus on the individual's mental health and not on how this mental health can impact the individual's social relations. In this study, the impact of the experience of a terrorist attack on social relationships was studied.MethodsIn‐depth interviews were conducted, with 31 directly exposed people during the 22 March 2016 attacks in Belgium. Data were analysed using reflexive thematic analysis.ResultsThree factors related to the impact on social relationships were found. First, participants felt that they had changed. This includes feeling more aggressive, guilty, distrusting or psychosomatic factors, such as migraine attacks, which can hamper social visits. Second, the reactions of others on the participant's expressing their feelings and behaviour also caused participants to not feel understood by their social relationships. Third, due the first two factors, participants coped in different ways (e.g. remaining silent and avoiding certain triggers), which in turn caused their social relationships to change.ConclusionsThe social relationships of witnesses of terrorist attacks can be hampered due to both themselves as well as the reaction of others. More awareness seems to be needed on the possible mental health consequences of terrorist attacks for witnesses.
Class II Human Leukocyte Antigen Variants Associate With Risk of Pegaspargase Hypersensitivity
Authors: Liu Yiwei , Yang Wenjian , Smith Colton A. , Cheng Cheng , Karol Seth E. , Larsen Eric C. , Winick Naomi , Carroll William L. , Loh Mignon L. , Raetz Elizabeth A. , Hunger Stephen P. , Winter Stuart S. , Dunsmore Kimberly P. , Devidas Meenakshi , Yang Jun J. , Evans William E. , Jeha Sima , Pui Ching‐Hon , Inaba Hiroto , Relling Mary V. 
Published: March 2021

We conducted the first human leukocyte antigen (HLA) allele and genome‐wide association study to identify loci associated with hypersensitivity reactions exclusively to the PEGylated preparation of asparaginase (pegaspargase) in racially diverse cohorts of pediatric leukemia patients: St Jude Children’s Research Hospital’s Total XVI (TXVI, n = 598) and Children’s Oncology Group AALL0232 (n = 2,472) and AALL0434 (n = 1,189). Germline DNA was genotyped using arrays. Genetic variants not genotyped directly were imputed. HLA alleles were imputed using SNP2HLA or inferred using BWAkit. Analyses between genetic variants and hypersensitivity were performed in each cohort first using cohort‐specific covariates and then combined using meta‐analyses. Nongenetic risk factors included fewer intrathecal injections (P = 2.7 × 10−5 in TXVI) and male sex (P = 0.025 in AALL0232). HLA alleles DQB1*02:02, DRB1*07:01, and DQA1*02:01 had the strongest associations with pegaspargase hypersensitivity (P < 5.0 × 10−5) in patients with primarily European ancestry (EA), with the three alleles associating in a single haplotype. The top allele HLA‐DQB1*02:02 was tagged by HLA‐DQB1 rs1694129 in EAs (r2 = 0.96) and less so in non‐EAs. All single nucleotide polymorphisms associated with pegaspargase hypersensitivity reaching genome‐wide significance in EAs were in class II HLA loci, and were partially replicated in non‐EAs, as is true for other HLA associations. The rs9958628 variant, in ARHGAP28 (previously linked to immune response in children) had the strongest genetic association (P = 8.9 × 10−9) in non‐EAs. The HLA‐DQB1*02:02‐DRB1*07:01‐DQA1*02:01 associated with hypersensitivity reactions to pegaspargase is the same haplotype associated with reactions to non‐PEGylated asparaginase, even though the antigens differ between the two preparations.
Missing‐value imputation using the robust singular‐value decomposition: Proposals and numerical evaluation
Authors: García‐Peña Marisol , Arciniegas‐Alarcón Sergio , Krzanowski Wojtek J. , Duarte Diego 
Published: March 2021

AbstractA common problem in the analysis of data from multi‐environment trials is imbalance caused by missing observations. To get around this problem, Yan proposed a method for imputing the missing values based on the singular‐value decomposition (SVD) of a matrix. However, this SVD can be affected by outliers and produce low quality imputations. In this article, we propose four extensions of the Yan method that are resistant to outliers, replacing the standard SVD method with four robust SVD extensions. We evaluate these methods, using exclusively numerical criteria in a simulation study and in a cross‐validation study based on real data. We conclude that in the presence of outliers, the standard SVD method should not be used; instead, the best alternatives are the robust SVD methods based on sub‐sampling when the percentage of contamination is less than 2% following a completely random missing data mechanism. In any other case, methods that either minimize the L2 norm or that involve L1 regressions are preferable.
Cold plasma treatment improves seed germination and accelerates the establishment of centipedegrass
Authors: Li Ling , Chen Jingbo , Wang Haoran , Guo Hailin , Li Dandan , Li Jianjian , Liu Jianxiu , Shao Hanliang , Zong Junqin 
Published: March 2021

AbstractCold plasma seed treatment has the potential for improving seed germination and seedling growth. However, the effects of cold plasma on seed germination and plant growth of perennial plants are unknown. Centipedegrass [Eremochloa ophiuroides (Munro) Hack.] was used to study the effect of cold plasma on seed germination, plant growth, and plant physiological mechanisms. Seeds were treated with different doses (0, 30, 60, 90, 120, 150, 180, and 210 W) of cold plasma. After cold plasma treatment, germination and biophysical characteristics of seeds, turf quality parameters, and physiological responses were investigated. Results showed that 120 W of cold plasma treatment significantly improved germination and turf quality of centipedegrass, and germination rate, germination speed, and uniformity of emergence were improved. Adventitious root numbers and dry weights of shoots and roots of seedlings increased. In addition, water uptake increased because of the increased conductivity and decreased apparent contact angle. Seed reserve utilization parameters, including α‐amylase and protease activities, soluble sugar and protein contents, and seed reserve utilization efficiency, all increased. Mean percentage of turfgrass coverage, stem diameter, leaf thickness, and dry weights of shoots and roots increased. Chlorophyll content, net photosynthetic rate, root activity, and microelements contents also increased. Overall, cold plasma treatment improved the seed germination and turf quality by increasing the water uptake of seeds, seed reserve utilization, photosynthetic efficiency, and nutrient uptake capacity.
Observational evidence of herbivore‐specific associational effects between neighboring conspecifics in natural, dimorphic populations of Datura wrightii
Authors: Goldberg Jay K. , Sternlieb Sonya R. , Pintel Genevieve , Delph Lynda F. 
Published: March 2021

AbstractAssociational effects—in which the vulnerability of a plant to herbivores is influenced by its neighbors—have been widely implicated in mediating plant–herbivore interactions. Studies of associational effects typically focus on interspecific interactions or pest–crop dynamics. However, associational effects may also be important for species with intraspecific variation in defensive traits. In this study, we observed hundreds of Datura wrightii—which exhibits dimorphism in its trichome phenotype—from over 30 dimorphic populations across California. Our aim was to determine whether a relationship existed between the trichome phenotype of neighboring conspecifics and the likelihood of being damaged by four species of herbivorous insects. We visited plants at three timepoints to assess how these effects vary both within and between growing seasons. We hypothesized that the pattern of associational effects would provide rare morphs (i.e., focal plants that are a different morph than their neighbors) with an advantage in the form of reduced herbivory, thereby contributing to the negative frequency‐dependent selection previously documented in this system. We found the best predictor of herbivory/herbivore presence on focal plants was the phenotype of the focal plant. However, we also found some important neighborhood effects. The total number of plants near a focal individual predicted the likelihood and/or magnitude of herbivory by Tupiochoris notatus, Lema daturaphila, and Manduca sexta. We also found that velvety focal plants with primarily sticky neighbors are more susceptible to infestation by Tupiochoris notatus and Lema daturaphila. This does not align with the hypothesis that associational effects at the near‐neighbor scale contribute to a rare‐morph advantage in this system. Overall, the results of our study show that the number and trichome‐morph composition of neighboring conspecifics impact interactions between D. wrightii and insect herbivores.
Ditopic Hexadentate Ligands with a Central Dihydrobenzo‐diimidazole Unit Forming a [2x2] Zn4 Grid Complex
Authors: Schäfer Bernhard , Suryadevara Nithin , Greisch Jean‐Francois , Fuhr Olaf , Kappes Manfred M. , Ruben Mario 
Published: March 2021

AbstractA family of ditopic hexadentate ligands based on the parent compound 2,6‐bis(6‐(pyrazol‐1‐yl)pyridin‐2‐yl)‐1,5‐dihydrobenzo[1,2‐d:4,5‐d’]diimidazole (L) was developed and synthesized by using a straightforward condensation reaction, which forms the interlinking central benzo[1,2‐d:4,5‐d’]diimidazole bridge in the ligand backbone. The two secondary amine groups of the benzodiimidazole unit tautomerize and allow the formation of two tauto‐conformers, which upon treatment with metal salts forms different isomeric coordination complexes. Here we report six new derivatives (1–6) that can tautomerize (varying the pyrazolylpyridine part) and 14 derivatives (7–13) with different alkyl and benzyl substitution on secondary amino groups (of L) that prevent the tautomerization. This way, it is possible to study the properties of isomeric coordination complexes and their intrinsic cooperativity by the example of [2x2] grid complexes in the future. A [2x2] Zn4 complex of the ligand L was synthesized and structurally characterized.
Electrochemical Quantitative Evaluation of the Surface Charge of a Poly(1‐Vinylimidazole) Multilayer Film and Application to Nanopore pH Sensor
Authors: Sato Katsuhiko , Sato Fumiya , Kumano Masayuki , Kamijo Toshio , Sato Takaya , Zhou Yuanshu , Korchev Yuri , Fukuma Takeshi , Fujimura Tsutomu , Takahashi Yasufumi 
Published: March 2021

AbstractNanopore pH sensing is based on the interaction between the surface charge of the nanopore and ions passing through the nanopore. The nanopore surface charge can be derived from the acid‐base dissociation equilibrium of the modified polyelectrolyte. Various polyelectrolytes have been selected based on the acid dissociation constant of the monomer units, and various techniques have been applied to modify nanopores. However, they have been developed without clear guidelines for characterizing the surface modification status or surface charge. One reason has been the difficulty in accurately estimating the surface charge of nanopores in solution. Thus, in this study, the dissociation constant (pKaapp) of the surface charge of a modified polyelectrolyte nanopore was quantitatively estimated via electrochemical measurements. Previously, the modification status of nanopores has been evaluated using the ion current response. In addition, we monitored in real‐time the polyelectrolyte modification status using a quartz crystal microbalance (QCM). Some polyelectrolytes were difficult to immobilize directly on the nanopore surface, and those polymers could be effectively modified by the layer‐by‐layer (LbL) technique. Therefore, we produced a guideline for the fabrication of a nanopore sensor for pH measurements under physiological conditions by quantitative evaluation of the pKaapp via electrochemical methods, the monitoring of the modification status by QCM, and the development of an effective modification method via the LbL technique.
Recent advances in paper‐based preconcentrators by utilizing ion concentration polarization
Authors: Zhiyue Meng , Xichen Yuan , Li Ren , Yang Yang , Huicheng Feng , Peng Shang 
Published: March 2021

AbstractOne of the most cited limitations of biochemical detection is its poor sensitivity, owing to the relatively high complexity of micro‐samples. Moreover, some samples cannot be easily self‐replicated and their abundance cannot be increased through traditional technologies. Therefore, the preconcentration of low‐abundance samples is a key requirement for microfluidic biological analysis. In recent years, the ion‐concentration polarization phenomenon has aroused widespread interest in the application of microfluidic technology. In addition, paper‐based materials are readily available, easy to modify, and exhibit good hydrophilicity. The study of the ion‐concentration polarization preconcentration of micro‐samples in paper‐based microfluidic chips is of considerable significance. In this review, we discuss the development and applications of ion‐concentration polarization paper‐based preconcentrator in the past 5 years, with emphasis on key progresses in chip fabrication and performance optimization under different conditions. The current needs and development prospects in this field have also been discussed.
Smile‐implied hedging with volatility risk
Authors: François Pascal , Stentoft Lars 
Published: March 2021

AbstractOptions can be dynamically replicated using model‐free Greeks extracted from the volatility smile. However, smile‐implied delta and delta–gamma hedging do not achieve minimum variance in the presence of price–volatility correlation, and these strategies have shown poor performance relative to the Black–Scholes (BS) benchmark. We propose a way to extend smile‐implied option replication with volatility risk management. Large‐scale evidence on S&P 500 index options indicates that smile‐implied delta–gamma–vega hedging strategies outperform the BS approach as well as more sophisticated option hedging frameworks, including stochastic volatility and jumps.
An ensemble of daily simulated runoff data (1981–2099) under climate change conditions for 93 catchments in Switzerland (Hydro‐CH2018‐Runoff ensemble)
Authors: Muelchi Regula , Rössler Ole , Schwanbeck Jan , Weingartner Rolf , Martius Olivia 
Published: March 2021

AbstractWe present a new ensemble of daily runoff simulations for meso‐scale catchments in Switzerland for the period 1981–2099: The Hydro‐CH2018‐Runoff ensemble. The ensemble contains runoff simulations for 93 catchments in Switzerland covering a wide range of different catchment characteristics governed by pluvial, nival and glacial runoff regimes. The hydrological modelling system PREVAH was thoroughly calibrated and validated for each catchment. The simulations show satisfactory performance with a median Nash‐Sutcliffe efficiency of 0.82 in the calibration and validation period. The calibrated parameters were then used to simulate runoff under climate change for each of the 93 catchments. These simulations were driven by the high‐resolution new Swiss climate change scenarios (CH2018) consisting of 68 GCM‐RCM combinations covering 3 different emission scenarios: RCP2.6, RCP4.5 and RCP8.5. The simulations show good agreement between simulated and observed runoff regimes in the reference period. The Hydro‐CH2018‐Runoff ensemble is publicly available under http://doi.org/10.5281/zenodo.3937485 (Muelchi, R., Rössler, O., Schwanbeck, J., Weingartner, R., and Martius, O. (2020) Hydro‐CH2018‐Runoff ensemble (version v1). Zenodo) and can be used for further impact studies.