bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sensitive and Repeatable Photoinduced Luminescent Radicals from A Simple Organic Crystal
Authors: Mu Yingxiao , Liu Yanyan , Tian Haiyan , Ou Depei , Gong Li , Zhao Juan , Zhang Yi , Huo Yanping , Yang Zhiyong , Chi Zhenguo 
Published: December 2020

AbstractPhotoinduced organic radicals are important for chemical and physical processes of organic materials, which are extensively investigated and applied in organic synthesis, photoelectronic devices and biotechnology. However, there are rare reports of the luminescence for these photoinduced radicals, especially in the condensed state. Herein, an unexpected and interesting luminescent radical is described, which can be rapidly and reversibly generated from a simple organic crystal by gentle light irradiation in air. It was revealed that the twist and asymmetric conformation of isolated molecule in its crystal with only weak C−H⋅⋅⋅π intermolecular interactions, which led to the generation of such photoinduced luminescent radicals. In addition, dual‐channel photosensitive device with rapid response and well repeatability can be obtained based on the thin film of this organic crystal, showing both photoswitching on luminescence and conducting.
Direct potable reuse using full advanced treatment versus ozone biofiltration: A cost comparison
Authors: Noibi Morayo , Hooper Jennifer , Bell Kati , Funk Denise 
Published: December 2020

AbstractThe cost of direct potable reuse (DPR) using reverse osmosis (RO) and full advanced treatment (FAT) based on advanced oxidation process was compared with a non‐RO‐based treatment train with ozone and biologically active filtration (BAF). Costs were calculated assuming a blend of 15% advanced treated water with the current potable water supply, Lake Lanier. The 30‐year amortized capital and operational costs were US$4,830/mil gal for FAT and $1,900/mil gal for ozone‐BAF. The primary additional cost associated with FAT was due to the mechanical evaporation of RO brine concentrate disposal. The costs for producing water using FAT integrating a vibratory shear‐enhanced processing‐RO (VSEP‐RO) to further concentrate the RO brine were lower than those for mechanical evaporation alone ($3,510/mil gal). While VSEP‐RO improved overall costs, ozone‐BAF‐based treatment was less than half the cost of FAT. Thus, ozone‐BAF may provide a more economical alternative compared with FAT for inland facilities considering DPR.
Fe‐Based Mesoporous Nanostructures for Electrochemical Conversion and Storage of Energy
Authors: Tufa Lemma T. , Gicha Birhanu B. , Wu Hui , Lee Jaebeom 
Published: December 2020

AbstractDecarbonization of the global energy system requires a coordinated effort towards disruptive technology of renewable energy conversion and storage (ECS) that can be potential to secure and diversify energy systems by increasing efficiency of conversion and storage of intermittent energy sources. Porous nanostructures have been newly reported as a promising class of most effective materials for this purpose because of their unique advantages in terms of large surface‐to‐volume ratios, surface permeability, and void spaces. These offer abundant active sites for ultimate electrochemical activities by the shortening pathway of mass/charge transport. Particularly, Fe‐based mesoporous nanostructures (mp‐FeNSs) have been recently fascinating. Iron is a principal active center in nanocomposites and has high industrial suitability for next‐generation technology owing to its environment friendliness, abundance, and low cost. In this review, crucial technical advances related to mp‐FeNSs that have occurred during 2016–2020 are summarized in terms of synthesis, structural design strategy, and ECS applications such as water electrocatalysis, Li‐ion batteries, and supercapacitors. This review is supportive for potential readers to obtain general and professional information in this field since Fe‐based energy materials are exclusively introduced in the article including a fundamental understanding of electrochemistry and related technologies in detail.
To code or not to code: Introducing coding in primary schools
Authors: Videnovik Maja , Vlahu‐Gjorgievska Elena , Trajkovik Vladimir 
Published: December 2020

AbstractLearning to code helps children to develop an understanding of how things work. It also contributes to the development of problem‐solving skills. In this paper, we present a methodological framework with four cycles that alternate between cooperative and individual learning approaches in addition to game‐based and project‐based learning. The presented framework is suitable for deployment in primary schools, regardless of the digital competencies and programming skills of the teachers. The framework was evaluated focusing on the approach (collaborative or competitive) that is more suitable for the first cycle in the multi‐cycle scenario for learning to code from a demographic perspective (gender and urbanization), the relevancy of Bloom's taxonomy, and the achieved learning experience. Initial results confirm that this approach encourages the students to use the proposed tools for finding the solution, raising their interest and motivation for learning to code. The teachers who participated in the pilot study were satisfied with the proposed approach, both in terms of achieved learning outcomes and the level of training needed to obtain necessary teaching competencies.
Utilizing Edentulous Ridge as Autogenous Block Graft for Buccal Contouring Horizontal Ridge Augmentation
Authors: Knight Wade M. , Ashnagar Sajjad , Vattikunta Lahari , Misch Craig M. , Fallah‐Abed Pooria 
Published: December 2020

IntroductionAugmenting the edentulous anterior mandible can be a challenge. This case report describes a novel technique that combines bone reduction and buccal contouring using an autogenous block graft.Case PresentationA patient presented with a conventional mandibular denture that had poor retention. The patient had a deficient ridge that could not support dental implants without hard tissue augmentation. The anterior mandible was reduced vertically with an osteotomy to allow harvest of an autogenous block graft for horizontal ridge augmentation. After 8 months, dental implants were placed in a ridge with adequate width and patient proceed to final prosthesis.ConclusionThe technique may be considered in the atrophic mandible when a narrow ridge requires vertical height reduction as an autogenous block can be harvested and placed at a single surgical site.
Iodonium Cation‐Pool Electrolysis for the Three‐Component Synthesis of 1,3‐Oxazoles
Authors: Sattler Lars E. , Hilt Gerhard 
Published: December 2020

AbstractThe synthesis of 1,3‐oxazoles from symmetrical and unsymmetrical alkynes was realized by an iodonium cation‐pool electrolysis of I2in acetonitrile with a well‐defined water content. Mechanistic investigations suggest that the alkyne reacts with the acetonitrile‐stabilized I+ions, followed by a Ritter‐type reaction of the solvent to a nitrilium ion, which is then attacked by water. The ring closure to the 1,3‐oxazoles released molecular iodine, which was visible by the naked eye. Also, some unsymmetrical internal alkynes were tested and a regioselective formation of a single isomer was determined by two‐dimensional NMR experiments.
Direct Synthesis of Unsymmetrical Dithioacetals
Authors: Bognar Sabine , van Gemmeren Manuel 
Published: December 2020

AbstractDithioacetals are a frequently used motif in synthetic organic chemistry and have recently seen increasing attention as structural motif in promising antiviral agents against plant pathogens. Most existing reports, however, only discuss symmetrical dithioacetals. Examples of mixed dithioacetals are scarce and no general method for the selective synthesis of these compounds exists. Herein, a synthetically simple general one‐step protocol was developed for the synthesis of a broad range of unsymmetrical dithioacetals consisting of one aromatic and one aliphatic thiol moiety from the corresponding aldehyde/thiol mixture. The mixed S,S‐acetals were obtained in high yields, and a great variety of functional groups was tolerated. Kinetic control enabled an excellent selectivity in regard to the unsymmetrical dithioacetal.
Synthesis and Characterization of Two Uranyl‐Aryl “Ate” Complexes
Authors: Ordoñez Osvaldo , Yu Xiaojuan , Wu Guang , Autschbach Jochen , Hayton Trevor W. 
Published: December 2020

AbstractReaction of [UO2Cl2(THF)3] with 3 equivalents of LiC6Cl5 in Et2O resulted in the formation of first uranyl aryl complex [Li(Et2O)2(THF)][UO2(C6Cl5)3] ([Li][1]) in good yields. Subsequent dissolution of [Li][1] in THF resulted in conversion into [Li(THF)4][UO2(C6Cl5)3(THF)] ([Li][2]), also in good yields. DFT calculations reveal that the U−C bonds in [Li][1] and [Li][2] exhibit appreciable covalency. Additionally, the 13C NMR chemical shifts for their Cipso environments are strongly affected by spin‐orbit coupling—a consequence of 5f orbital participation in the U−C bonds.
The LENT index predicts 30 day outcomes following hospitalization for heart failure
Authors: Van Spall Harriette GC , Averbuch Tauben , Lee Shun Fu , Oz Urun Erbas , Mamas Mamas A , Januzzi James Louis , Ko Dennis T 
Published: December 2020

AbstractAimsThe LE index (Length of hospitalization plus number of Emergent visits ≤6 months) predicts 30 day all‐cause readmission or death following hospitalization for heart failure (HF). We combined N‐terminal pro‐B type natriuretic peptide (NT‐proBNP) levels with the LE index to derive and validate the LENT index for risk prediction at the point of care on the day of hospital discharge.Methods and resultsIn this prospective cohort sub‐study of the Patient‐centred Care Transitions in HF clinical trial, we used log‐binomial regression models with LE index and either admission or discharge NT‐proBNP as the predictors and 30 day composite all‐cause readmission or death as the primary outcome. No other variables were added to the model. We used regression coefficients to derive the LENT index and bootstrapping analysis for internal validation. There were 772 patients (mean [SD] age 77.0 [12.4] years, 49.9% female). Each increment in the LE index was associated with a 25% increased risk of the primary outcome (RR 1.25, 95% CI 1.16–1.35; C‐statistic 0.63). Adjusted for the LE index, every 10‐fold increase in admission and discharge NT‐proBNP was associated with a 48% (RR 1.48; 95% CI 1.10, 1.99; C‐statistic 0.64; net reclassification index [NRI] 0.19) and 56% (RR 1.56; 95% CI 1.08, 2.25; C‐statistic 0.64; NRI 0.21) increased risk of the primary outcome, respectively. The predicted probability of the primary outcome increased to a similar extent with incremental LENT, regardless of whether admission or discharge NT‐proBNP level was used.ConclusionsThe point‐of‐care LENT index predicts 30 day composite all‐cause readmission or death among patients hospitalized with HF, with improved risk reclassification compared with the LE index. The performance of this simple, 3‐variable index ‐ without adjustment for comorbidities ‐ is comparable to complex risk prediction models in HF.Trial Registration: ClinicalTrials.gov Identifier: NCT02112227
A Screening Approach for the Selection of Drinking Water Treatment Residuals for Their Introduction to Marine Systems
Authors: Zhou Lang , Wallace Samuel M. , Denslow Nancy D. , Gaillard Jean-François , Meyer Peter , Bonzongo Jean-Claude J. 
Published: December 2020

Abstract
Drinking water treatment residuals (DWTRs) produced in large quantities worldwide show strong sorption capacities for several contaminants including metals. These by-products of the water-treatment process are primarily discharged as wastes, to either natural or engineered systems, based on the regulations in place in the country where they are produced. To assess how DWTRs can be repurposed to limit the mobility of metals in aquatic systems, we tested their propensity to release toxic metals and their potential ecotoxicity. To account for the wide variability in their physicochemical characteristics, DWTR samples were obtained from 15 water-treatment plants across the United States. A screening procedure based on a combination of 1) the toxicity characteristics leaching procedure (TCLP), 2) total metal contents and sediment quality guidelines, and 3) acute 10-d Americamysis bahia and chronic 28-d Neanthes arenaceodentata survival and growth bioassays was used. All tested samples were found to be nonhazardous based on TCLP results. However, the concentrations of As, Cu, and Ni exceeded the sediment quality guidelines in some samples, resulting in the exclusion of 7 DWTR samples. All of the DWTRs evaluated for toxicity were nontoxic to the tested organisms. The results of the present study suggest that certain DWTRs can be introduced safely into the marine environment and, therefore, used as potential amendments or capping materials to control the mobility of certain sediment contaminants. Environ Toxicol Chem 2021;40:1194–1203. © 2020 SETAC
Multigenerational Toxic Effects on Daphnia magna Induced by Silver Nanoparticles and Glyphosate Mixture
Authors: da Silva Marlon Luiz Neves , Nogueira Diego José , Köerich Jéssica Schveitzer , Vaz Vitor Pereira , Justino Naiara Mottim , Schmidt José Renato Alves , Vicentini Denice Schulz , Matias Marcelo Seleme , de Castilhos Armando Borges , Fuzinatto Cristiane Funghetto , Matias William Gerson 
Published: December 2020

Abstract
Multigenerational toxicological effects of a binary mixture of silver nanoparticles (AgNPs) with glyphosate were identified in Daphnia magna using acute and chronic toxicity tests. Acute toxicity interactions were analyzed with the Abbott method. In the chronic tests, the survival, growth, reproduction, and age at first brood were evaluated for the parents and the exposed (F1E) and non-exposed (F1NE) descendants. The scales tested for binary mixture, at the acute level, presented antagonistic and additive interactions, possibly associated with the complexation of the AgNPs by glyphosate. Multigenerational chronic effects related to the parameters, reproduction, and age at first brood were observed in the descendants tested with the individual compounds, with no recovery for F1E and F1NE. In organisms exposed to binary mixture, there was a delay in the age at first brood and also a significant change in the reproduction parameter, with a strong reduction for the parents, F1E, and F1NE, indicating a higher toxicity than the compounds tested individually. Although the results for acute interactions between AgNP and glyphosate did not provide clear evidence, multigenerational chronic binary mixture trials have resulted in unexpected toxicity compared with individual treatments, increasing the concerns associated with this co-exposure in other scenarios. Therefore, the interaction of binary mixture with the organisms merits further investigation and the results reported in the present study will be useful in this regard. Environ Toxicol Chem 2021;40:1123–1131. © 2020 SETAC
Design of link prediction algorithm for complex network based on the comprehensive influence of predicting nodes and neighbor nodes
Authors: Wang Yang , Wang Jifa 
Published: December 2020

AbstractA new link prediction algorithm (ZHA), based on comprehensive influence of predicting nodes and neighbor nodes to improve the accuracy and applicability of link prediction for complex networks, was proposed. Taking the comprehensive influence of predicting nodes and neighbor nodes into account, the new algorithm was constructed on the basis of the information of nodes in complex networks. ZHA was applied to seven real complex networks, and the random experiment was performed 10 times and 100 times, respectively, to identify its applicability and precision. Comparing the precision of ZHA with classical similarity link prediction algorithms, results showed that the new algorithm ZHA had higher precision. On the foundation of the experiments, the relationship between the accuracy of link prediction and experiment times was analyzed, and the principle of how to select experiment times was given.
A soil moisture monitoring network to assess controls on runoff generation during atmospheric river events
Authors: Sumargo Edwin , McMillan Hilary , Weihs Rachel , Ellis Carolyn J. , Wilson Anna M. , Ralph F. Martin 
Published: December 2020

AbstractSoil moisture is a key modifier of runoff generation from rainfall excess, including during extreme precipitation events associated with Atmospheric Rivers (ARs). This paper presents a new, publicly available dataset from a soil moisture monitoring network in Northern California's Russian River Basin, designed to assess soil moisture controls on runoff generation under AR conditions. The observations consist of 2‐min volumetric soil moisture at 19 sites and 6 depths (5, 10, 15, 20, 50, and 100 cm), starting in summer 2017. The goals of this monitoring network are to aid the development of research applications and situational awareness tools for Forecast‐Informed Reservoir Operations at Lake Mendocino. We present short analyses of these data to demonstrate their capability to characterize soil moisture responses to precipitation across sites and depths, including time series analysis, correlation analysis, and identification of soil saturation thresholds that induce runoff. Our results show strong inter‐site Pearson's correlations (>0.8) at the seasonal timescale. Correlations are strong (>0.8) during events with high antecedent soil moisture and during drydown periods, and weak (<0.5) otherwise. High event runoff ratios are observed when antecedent soil moisture thresholds are exceeded, and when antecedent runoff is high. Although local heterogeneity in soil moisture can limit the utility of point source data in some hydrologic model applications, our analyses indicate three ways in which soil moisture data are valuable for model design: (1) sensors installed at 6 depths per location enable us to identify the soil depth below which evapotranspiration and saturation dynamics change, and therefore choose model soil layer depths, (2) time series analysis indicates the role of soil moisture processes in controlling runoff ratio during precipitation, which hydrologic models should replicate, and (3) spatial correlation analysis of the soil moisture fluctuations helps identify when and where distributed hydrologic modelling may be beneficial.
Water quality and spatio‐temporal hot spots in an effluent‐dominated urban river
Authors: Schliemann Sarah A. , Grevstad Nels , Brazeau Randi H. 
Published: December 2020

AbstractIn arid and semi‐arid regions, many rivers experience extremely low flow conditions during seasonal dry periods. During these times, effluent from wastewater treatment plants can make up the majority of flow in the river. However, water quality in urban systems can also be strongly influenced by the natural or human‐influenced flow regime and discharge from other anthropogenic sources such as industrial operations and runoff from impervious surfaces. In this study, we aimed to determine whether water quality was controlled primarily by wastewater discharge in an effluent‐dominated river. Between May 2016–May 2019, we systematically measured water temperature, pH, dissolved oxygen, biochemical oxygen demand, and the concentrations of nitrate‐N, ammonia‐N, and orthophosphate in the South Platte River in the Denver metropolitan area, Colorado, USA. We found that, despite being an effluent‐dominated river, wastewater treatment plant discharge was not the principal factor controlling water quality in many of the sampled areas. Non‐point source pollution from impervious surfaces, delivered to the river through storm drains and minor tributary streams, also contributed to the high nutrient conditions in several locations. We also noted a strong seasonality in water quality, with higher concentrations of nutrients and higher biochemical oxygen demand in the winter months when wastewater effluent can make up more than 90% of the flow in the river. Thus, the interaction of discharge location and reduced seasonal flow produced spatio‐temporal hot spots of diminished water quality. More stringent enforcement of water quality regulations may improve water quality in this system. However, a large portion of the pollution seems to be from non‐point sources, which are very difficult to control.
Dec2 attenuates autophagy in inflamed periodontal tissues
Authors: Oka Shunichi , Li Xiaoyan , Sato Fuyuki , Zhang Fengzhu , Tewari Nitesh , Chen Chongchong , Zhong Liangjun , Makishima Makoto , Liu Yi , Bhawal Ujjal K. 
Published: December 2020

AbstractIntroductionTranscriptional regulation of autophagy depends on the transcription factors coordinated inflammatory feedback mechanism. Here, we provide a comprehensive functional characterization of periodontal ligament fibroblasts (PDLFs) treated with Porphyromonas gingivalis lipopolysaccharide (LPS), aiming to reveal previously unappreciated biological changes and to investigate how a transcription factor differentiated embryonic chondrocytes 2 (Dec2)‐deficient environment influences the function of autophagy in nflamed human PDLFs.MethodsA Dec2‐deficient (Dec2KO) experimental periodontal inflammation mouse model and treatment with P. gingivalis LPS were employed to examine the role of autophagy in PDLFs using hematoxylin and eosin staining and immunohistochemistry in vivo. A Dec2 small interfering RNA (siRNA) was used to modulate autophagy, and the effect of autophagy on the Dec2 pathway was explored using real‐time polymerase chain reaction and western blot analysis in vitro.ResultsLPS‐treated human PDLFs (HPDLFs) induced autophagy, as demonstrated by the enhanced levels of microtubule‐associated protein 1 light chain 3‐II (LC3‐II) and the induction of ATG5, Beclin1, and Dec2. Compared with a scrambled siRNA, a Dec2 siRNA triggered the detrimental influences of LPS and markedly enhanced autophagy expression in inflamed HPDLFs. The expression of phosphorylated ERK was increased and levels of phosphorylated mammalian target of rapamycin (mTOR) were decreased after exposure to LPS in Dec2 siRNA transfected HPDLFs. The Dec2KO model exhibited that P. gingivalis in Dec2 deficient conditions increases the inflammation of PDLFs by regulating autophagy.ConclusionsThese results demonstrate that a Dec2 deficiency can alleviate LPS‐induced inflammation via the ERK/mTOR signaling pathway by regulating autophagy, conceivably delivering a novel approach for the detection of periodontal treatments.
Time‐frequency analysis of risk spillovers from oil to BRICS stock markets: A long‐memory Copula‐CoVaR‐MODWT method
Authors: Jiang Yonghong , Mu Jinqi , Nie He , Wu Lanxin 
Published: December 2020

AbstractWe document the risk spillovers from oil to BRICS stock markets using a relatively novel long‐memory Copula‐CoVaR‐MODWT method from the time and frequency domain. Overall, the empirical results show that there are significant risk spillovers with time‐varying and heterogeneous characteristics. More importantly, we find that the heterogeneity among countries depends on the degree of oil dependence, energy policy and risk management strategy. Furthermore, we reveal there exist significant long‐ and short‐term risk spillovers and that the long‐term spillover effects are generally lower than the short‐term ones. Finally, we confirm that downside and upside risk spillovers are asymmetric.