bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of defects on the decomposition of chemical warfare agent simulants in Zr‐based metal organic frameworks
Authors: Vo Minh Nguyen , Ruffley Jonathan P. , Johnson J. Karl 
Published: January 2021

AbstractMetal organic frameworks (MOFs) containing zirconium secondary building units (SBUs) in UiO‐67 and related MOFs, are highly active for neutralizing both the chemical warfare agents and simulants, such as dimethyl methylphosphonate (DMMP). However, two recent publications gave conflicting reports of DMMP reaction with UiO‐67 under ultra high vacuum (UHV) conditions, with one reporting chemisorption and reaction (Wang et al., J Phys Chem C, 2017, 121, 11261–11272) and the other reporting only physisorption and reversible desorption (Ruffley et al., J Phys Chem C, 2019, 123, 19748–19758) from very similar temperature programmed desorption experiments. We show that the discrepancy between these experiments may be explained by different levels of missing linker defects in the UiO‐67 samples. We present density functional theory calculations showing that SBU sites having two‐adjacent missing linkers exhibit reaction barriers that are about 30 kJ/mol lower than SBU sites having a single missing linker. We also show that topology of the undercoordinated sites plays an important role in the reaction barrier under UHV conditions.
A validated model for prediction of survival to 6 months in patients with trisomy 13 and 18
Authors: Kosiv Katherine A. , Long Jin , Lee Henry C. , Collins R. Thomas 
Published: January 2021

AbstractCongenital heart disease is exceedingly prevalent in trisomy 13 and 18. Improved survival following congenital heart surgery has been reported, however, mortality remains significantly elevated. Utilizing inpatient data on trisomy 13 and 18 from the 2003–2016 Pediatric Health Information System database, a survival model was developed and validated using data from the California Perinatal Quality Care Collaborative and the California Office of Statewide Health Planning and Development. The study cohort included 1,761 infants with trisomy 13 and 18. Two models predicting survival to 6 months of age were developed and tested. The initial model performed excellently, with a c‐statistic of 0.87 and a c‐statistic of 0.76 in the validation cohort. After excluding procedures performed on the day of death, the revised model's c‐statistic was 0.76. Certain variables, including cardiac surgery, gastrostomy, parenteral nutrition, and mechanical ventilation, are predictive of survival to 6 months of age. This study presents a model, which potentially can inform decision‐making regarding congenital heart surgery.
SRD5A3‐CDG:3Dstructure modeling, clinical spectrum, andcomputer‐baseddysmorphic facial recognition
Authors: Ben Ayed Ikhlas , Ouarda Wael , Frikha Fakher , Kammoun Fatma , Souissi Amal , Ben Said Mariem , Bouzid Amal , Elloumi Ines , Hamdani Tarak M. , Gharbi Nourhene , Baklouti Nesrine , Guirat Manel , Mejdoub Fatma , Kharrat Najla , Boujelbene Imene , Abdelhedi Fatma , Belguith Neila , Keskes Leila , Gibriel Abdullah Ahmed , Kamoun Hassen , Triki Chahnez , Alimi Adel M. , Masmoudi Saber 
Published: January 2021

AbstractPathogenic variants in Steroid 5 alpha reductase type 3 (SRD5A3)cause rare inherited congenital disorder of glycosylation known as SRD5A3‐CDG (MIM#612379). To date, 43 affected individuals have been reported. Despite the development of various dysmorphic features in significant number of patients, facial recognition entity has not yet been established for SRD5A3‐CDG. Herein, we reported a novelSRD5A3missense pathogenic variant c.460 T > C p.(Ser154Pro). The 3D structural modeling of the SRD5A3 protein revealed additional transmembrane α‐helices and predicted that the p.(Ser154Pro) variant is located in a potential active site and is capable of reducing its catalytic efficiency. Based on phenotypes of our patients and all published SRD5A3‐CDG cases, we identified the most common clinical features as well as some recurrent dysmorphic features such as arched eyebrows, wide eyes, shallow nasal bridge, short nose, and large mouth. Based on facial digital 2D images, we successfully designed and validated a SRD5A3‐CDG computer based dysmorphic facial analysis, which achieved 92.5% accuracy. The current work integrates genotypic, 3D structural modeling and phenotypic characteristics of CDG‐SRD5A3 cases with the successful development of computer tool for accurate facial recognition of CDG‐SRD5A3 complex cases to assist in the diagnosis of this particular disorder globally.
Creation and filtering of a recurrent spectral library of CHO cell metabolites and media components
Authors: Telu Kelly H. , Marupaka Ramesh , Andriamaharavo Nirina R. , Simón‐Manso Yamil , Liang Yuxue , Mirokhin Yuri A. , Bukhari Tallat H. , Preston Renae J. , Kashi Lila , Kelman Zvi , Stein Stephen E. 
Published: January 2021

AbstractThis paper reports the first implementation of a new type of mass spectral library for the analysis of Chinese hamster ovary (CHO) cell metabolites that allows users to quickly identify most compounds in any complex metabolite sample. We also describe an annotation methodology developed to filter out artifacts and low‐quality spectra from recurrent unidentified spectra of metabolites. CHO cells are commonly used to produce biological therapeutics. Metabolic profiles of CHO cells and media can be used to monitor process variability and look for markers that discriminate between batches of product. We have created a comprehensive library of both identified and unidentified metabolites derived from CHO cells that can be used in conjunction with tandem mass spectrometry to identify metabolites. In addition, we present a workflow that can be used for assigning confidence to a NIST MS/MS Library search match based on prior probability of general utility. The goal of our work is to annotate and identify (when possible), all liquid chromatography‐mass spectrometry generated metabolite ions as well as create automatable library building and identification pipelines for use by others in the field.
The hoarder, the oniomaniac and the fashionista in me: A life histories perspective on self‐concept and consumption practices
Authors: Alevizou Panayiota , Henninger Claudia E. , Stokoe Jennifer , Cheng Ranis 
Published: January 2021

AbstractIncreased negative media attention has focused on the environmental impacts the fashion industry has on the natural environment, thereby calling for solutions, focused on clothing purchase, use and end‐of‐life treatment. This research explores the relationship between consumers and their clothing consumption (from purchase through to disposal), through the lens of life histories, and thus exploring what impacts on end‐of‐life clothes treatment. The novelty of this study lies within connecting fashion consumption practices with the self‐concept in the context of clothing consumption (pre‐ purchase through to disposal), from an individual's life history perspective. This qualitative enquiry utilised life histories, thereby conducting 20 in‐depth semi‐structured interviews that were analysed through a grounded approach. Findings indicate that fashion consumption is heavily influenced by an individual's “self”, in that those that have a positive perception of themselves have reduced shopping habits, whilst those with a negative perception increase them. Our results show that our participants go through various consumption practices (hoarder, oniomaniac, and “fashionista”) that co‐exist within them and are influenced by the individual's self. Our study calls for more intergenerational research exploring fashion consumption and disposal.
Non‐deceptive counterfeit purchase behavior of luxury fashion products
Authors: Singh Devinder Pal , Kastanakis Minas N. , Paul Justin , Felix Reto 
Published: January 2021

AbstractThe luxury fashion industry suffers substantial losses due to non‐deceptive counterfeit purchase behavior. This study extends prior research on such behavior by investigating the factors influencing non‐deceptive counterfeit purchase behavior of luxury fashion goods in India, a country that scores high on collectivism and low on indulgence in regard to Hofestede's cultural dimensions. Specifically, (a) based on the extant literature as well as by (b) adding a novel variable, we theorize and empirically test a model that proposes a more comprehensive attitudinal construct specifically reflective of attitude to counterfeits by incorporating integrity, materialism, risk seeking, price–quality interface, smart shopper self‐perception, and subjective norms as antecedents of attitude towards counterfeit luxury products. Importantly, the paper investigates the mediating role of this comprehensive attitudinal construct in the relationship between intentions to purchase counterfeit and antecedents. The results offer novel theoretical insights that could be also advantageously employed by practitioners to restrain non‐deceptive counterfeit behavior.
Making sense of K‐12 competency‐based education: A systematic literature review of implementation and outcomes research from 2000 to 2019
Authors: Evans Carla M. , Landl Erika , Thompson Jeri 
Published: January 2021

AbstractBackgroundCompetency‐based education (CBE) is a systems‐change approach intended to re‐shape traditional understandings of what, when, where, and how students learn and demonstrate academic knowledge and skills. Research on the factors that affect K‐12 CBE implementation and the efficacy of different approaches has not yet been meticulously reviewed.AimsThe purpose of this literature review was to examine the research on K‐12 CBE for factors that affect implementation, student outcomes, and the relationship between implementation and student outcomes.MethodsA systematic literature review was conducted that included 25 peer‐reviewed studies and unpublished reports from 2000 to 2019 related to K‐12 students.ResultsFacilitators and barriers that affect K‐12 CBE implementation were fairly consistent across studies. Factors perceived as barriers in some contexts were viewed as facilitators in others—it all depended on stage of implementation. Findings about the outcomes of CBE for K‐12 students reflected mixed results with respect to claims that CBE implementation supports (a) academic achievement and progress; (b) intrinsic motivation and engagement; and (c) other important academic outcomes.DiscussionUndergirding all findings in this review is the difficulty of isolating the research on implementation and outcomes of K‐12 CBE approaches in some “pure form.” It may make more sense for the field to coalesce around a common continuum of practices in relation to the key elements of CBE from more traditional models to more competency‐based models. Also, assessment as a key feature of CB implementation was absent from most of the studies reviewed which is notable given that determining competence is fundamentally an assessment decision. Directions for future research are discussed.ConclusionFor many, the promise of CBE and related practices is that student achievement will improve and minimize equity gaps. This systematic review serves to amplify what is known about CBE approaches and what still needs investigation.
Genetic diversity among Brazilian carioca common bean cultivars for nitrogen use efficiency
Authors: Zeffa Douglas Mariani , Moda‐Cirino Vânia , Delfini Jéssica , Medeiros Isabella Arruda , Koltun Alessandra , Nogueira Alison Fernando , Scapim Carlos Alberto , Gepts Paul , Gonçalves Leandro Simões Azeredo 
Published: January 2021

AbstractThe objective of this study was to determine the genetic diversity among Brazilian carioca common bean (Phaseolus vulgaris L.) cultivars for traits related to nitrogen use efficiency (NUsE). An additional objective was to identify potential parents and promising parental combinations to assist common bean breeding programs in the development of cultivars with improved NUsE. The experiments were carried out at the Experimental Stations of the Instituto de Desenvolvimento Rural do Paraná (IDR–Paraná) in Londrina and Ponta Grossa, Brazil, during the rainy season in 2017. Thirty‐nine common bean cultivars were evaluated under high (40 kg N ha−1) and low N (0 kg N ha−1) applied as top‐dressing. The cultivars were genotyped using the genotyping‐by‐sequencing (GBS) approach with restriction enzyme CviAII. A total of 23,823 single nucleotide polymorphism (SNP) markers were identified throughout the common bean genome. A wide genetic variability was observed for NUsE‐related traits under high and low N conditions. In addition, correlations were found between shoot dry biomass and NUsE, N uptake efficiency (NUpE), and N utilization efficiency (NUtE) under low N, indicating the possibility of indirect selection of these traits by the plant shoot dry biomass. Interestingly, the most low‐N‐tolerant cultivars were not necessarily the most responsive and/or NUsE, suggesting that different morphophysiological mechanisms control these traits. The cultivars that stood out positively in this study can be used as parents in breeding programs aimed at developing cultivars that are adapted to N limitation.
The stakeholder engagement in the European banks: Regulation versus governance. What changes after the NF directive?
Authors: Cosma Simona , Leopizzi Rossella , Pizzi Simone , Turco Mario 
Published: January 2021

AbstractPrevious studies show regulation and corporate governance play an important role in affecting CSR processes and outcomes. The stakeholder engagement (SE) process represents a good practice of Corporate Social Responsibility (CSR) and, at the same time, an aspect of substance over form, within the CSR policies. In spite of its relevance, SE represents a little explored field of research. The purpose of this paper is to investigate if the improvements in SE processes are actually driven by regulation rather than by some elements of corporate governance. The study examines the effect of the regulation and some board's characteristics on SE. Specifically, in 2017 the introduction of EU non‐financial information Directive (Directive 2014/95/EU) shifts the disclosure of non‐financial information from the voluntary to the mandatory realm: in this mandatory context, the quality of the SE process that is indirectly disclosed in non‐financial information, could improve. By using a content and statistical analysis, through performing 4 two‐way Analysis of Variance, the study reveals that the effects of the introduction of the Directive 2014/95/EU on the stakeholder engagement process have been limited and the improvements in SE before and after the introduction of the Directive link to the Board of Directors characteristics. These findings are interesting for academics, by enriching the academic debate on mandatory versus voluntary disclosure and the relationship between board attributes and sustainability, for policy makers, by providing suggestions to favour organisational change of the firms, and for managers, by identifying the desirable characteristics of the Board of Directors.
State‐of‐the‐Art: Applications and Industrialization of Lignin Micro/Nano Particles
Authors: Chen Kai , Wang Shiyu , Qi Yungeng , Guo Hong , Guo Yanzhu , Li Haiming 
Published: January 2021

AbstractAs a new product of high‐value utilization of lignin, lignin micro/nano particles (LMNPs) have attracted the attention of researchers due to their non‐toxicity, corrosion‐resistance, UV resistance, and other excellent characteristics and potential application value. This article outlined the main preparation methods of LMNPs at the current stage, summarized and compared them from three perspectives of preparation technology, final product state and product composition. Subsequently, based on the different focuses of the properties of LMNPs, their application research progress as fillers, UV blockers, drug delivery carriers, among others, were introduced. Then a concise analysis of the technical and economic assessment and life cycle assessment of LMNPs in the process of industrialization was made. Finally, the main problems at present and the future development directions were analyzed and prospected to provide references for the deep processing of forest resources and the development of bio‐based nanomaterials.
Pattern synthesis of timed antenna array with the exploitation and suppression of harmonic radiation
Authors: Chakraborty Avishek , Ram Gopi , Mandal Durbadal 
Published: January 2021

SummaryThe pattern synthesis of timed antenna array with the exploitation and suppression of harmonic radiation is proposed in this paper. Timed arrays are the time‐domain alternatives of conventional antenna arrays, where an additional control parameter “time” is used to generate the desired time‐averaged radiation pattern. This additional control also comes with the inherent hindrance of harmonic radiation, generally considered as an undesired effect of time modulation. In this work, this hindrance is overcome with different objectives considering the exploitation and suppression of harmonic radiation of timed arrays. To demonstrate the exploitation of harmonic radiation, a simultaneous sum and difference pattern with reduced sidelobe suitable for monopulse tracking radar systems is obtained at the fundamental and the first harmonic frequency by an optimal subarrayed pulse splitting and shifting approach. Two separate cases, considering uniform and optimized static excitations along with the proposed subarrayed pulse sequence, are presented for the exhaustive analysis of the simultaneous multibeam pattern. To address the suppression of harmonic radiation, the sidelobe level (SLL) at the fundamental frequency and the sideband levels (SBLs) of higher‐order harmonic frequencies are simultaneously reduced. In this regard, a unique pulse shifting approach for the edge elements of the array, along with an optimal set of static excitations, is proposed to enhance the efficiency of the antenna system by reducing SLL and SBLs at the same time. Two uniquely defined cost functions are chosen to address the above‐mentioned objectives by exploiting and suppressing the harmonic radiation of timed arrays, which further increases the adaptability and reconfigurability of the array. A set of 16‐element “time‐modulated” linear array (TMLA) is considered for optimization, and a wavelet mutation‐based differential evolution (DEWM) algorithm is employed to obtain the optimal solutions. Obtained numerical results are reported and also compared with previously published works to show the proposed approach's potentialities.
Effectiveness and robustness of an asymmetric nonlinear energy sink‐inerter for dynamic response mitigation
Authors: Wang Jingjing , Wang Bin , Zhang Chao , Liu Zhibin 
Published: January 2021

AbstractNonlinear energy sinks (NESs) have outperformed tuned mass dampers in mitigating undesired responses against changes in structural frequencies. However, the dilemma of gaining frequency robustness at the cost of energy sensitivity as well as the large masses of devices required for civil engineering structures impede the applications of existing NESs. To solve the issue of lacking energy robustness and take advantage of inerters to reduce physical mass, an asymmetric NES‐inerter (Asym NESI) is developed in this study. This passive inerter‐based nonlinear mass damper is configured based on an energy‐robust NES with an inerter added between the auxiliary mass and a fixed point. The paper commences with the formulation of the Asym NESI through mathematical derivations. Then an Asym NESI is designed and evaluated on a three‐story structure in comparison with other counterpart mass dampers. The effectiveness of the Asym NESI can be attributed to its unique dynamics which are revealed analytically using the harmonic balance method through free vibrations and harmonically forced vibrations. The ensuing numerical validations show that due to the integrated linear and nonlinear dynamics of the Asym NESI, the proposed device exhibits strong robustness against changes in both structural frequency and energy level. Moreover, driven by the large inertial effect induced by the auxiliary inerter, the Asym NESI shows flexibility in choosing a practical installation location without sacrificing excellent control capacity. Importantly, the benefits of the Asym NESI are further confirmed by the responses subjected to a suite of ground motions. This study provides analytical insights into the effectiveness and robustness of Asym NESIs and demonstrates substantial performance enhancement by the inerter in structural response mitigation.
Analytical investigation of the exact groundwater divide between rivers beyond the Dupuit–Forchheimer approximation
Authors: Li Ruoyi , Wang Xu‐Sheng 
Published: January 2021

AbstractThe groundwater divide is a key feature of river basins and significantly influenced by subsurface hydrological processes. For an unconfined aquifer between two parallel rivers or ditches, it has long been defined as the top of the water table based on the Dupuit–Forchheimer approximation. However, the exact groundwater divide is subject to the interface between two local flow systems transporting groundwater to rivers from the infiltration recharge. This study contributes a new analytical model for two‐dimensional groundwater flow between rivers of different water levels. The flownet is delineated in the model to identify groundwater flow systems and the exact groundwater divide. Formulas with two dimensionless parameters are derived to determine the distributed hydraulic head, the top of the water table and the groundwater divide. The locations of the groundwater divide and the top of the water table are not the same. The distance between them in horizontal can reach up to 8.9% of the distance between rivers. Numerical verifications indicate that simplifications in the analytical model do not significantly cause misestimates in the location of the groundwater divide. In contrast, the Dupuit–Forchheimer approximation yields an incorrect water table shape. The new analytical model is applied to investigate groundwater divides in the Loess Plateau, China, with a Monte Carlo simulation process taking into account the uncertainties in the parameters.