bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of tandem coupling of NicoShell and TeicoShell columns in sub/supercritical fluid chromatography on enantioresolution
Authors: Folprechtová Denisa , Tesařová Eva , Kalíková Květa 
Published: September 2021

AbstractThe coupling of columns in sub/supercritical fluid chromatography presents a great opportunity for influencing the separation efficiency and extending the selectivity of the separation system. Combinations of different types of chiral stationary phases could positively affect the enantioresolution if single ones are complementary to each other. In this work, two superficially porous particle (2.7 μm) macrocyclic glycopeptide‐based columns, namely TeicoShell and NicoShell, were serially coupled and tested in sub/supercritical fluid chromatography for the first time. The influence of the column arrangement on the enantioseparation of structurally diverse biologically active compounds was examined. The obtained results showed how the column order crucially affected the enantioresolution of compounds tested, but the retention was negligibly affected in most cases. We also demonstrated that single TeicoShell and NicoShell columns are very promising towards the development of highly efficient and fast/ultrafast sub/supercritical fluid chromatography methods for structurally different chiral compounds. The optimized methods for sub‐minute enantioselective separation of certain biologically important compounds were proposed.
A chiral metal‐organic framework core‐shell microspheres composite for high‐performance liquid chromatography enantioseparation
Authors: Chen Ji‐Kai , Xu Na‐Yan , Guo Ping , Wang Bang‐Jin , Zhang Jun‐Hui , Xie Sheng‐Ming , Yuan Li‐Ming 
Published: September 2021

AbstractThe unique features of uniform and adjustable cavities, abundant chiral active sites, and high enantioselectivity make chiral metal‐organic frameworks popular as an emerging candidate for enantioselective separation. However, the wide particle size distribution and irregular shape of as‐synthesized metal–organic frameworks result in low column efficiency, undesired chromatographic peak shape, and high column backpressure of such metal–organic frameworks packed columns. Herein, we report the fabrication of chiral core‐shell microspheres [Cu2(d‐Cam)2(4,4′‐bpy)]n@SiO2 composite for high‐performance liquid chromatography enantioseparation to overcome the above‐mentioned problems. The [Cu2(d‐Cam)2(4,4′‐bpy)]n@SiO2 packed column gave high‐resolution separation of racemates under low column backpressure (10‐22 bar), indicating its synergistic effect of the good column packing property of the SiO2 microspheres and the chiral recognition ability of [Cu2(d‐Cam)2(4,4′‐bpy)]n crystals. Thirteen kinds of chiral compounds including alcohols, amines, ketones, epoxides, and organic bases were well separated with good peak shapes and high column efficiency (18200 plates/m for 1‐(9‐anthryl)‐2,2,2‐trifluoroethanol) on the [Cu2(d‐Cam)2(4,4′‐bpy)]n@SiO2 packed column. Among them, seven pairs of enantiomers achieved baseline separation and the resolution value for 1‐(9‐anthryl)‐2,2,2‐trifluoroethanol reached 11.22. Some effects such as column temperature, and analytes mass on the enantioseparations have been investigated. In addition, the [Cu2(d‐Cam)2(4,4′‐bpy)]n@SiO2 packed column exhibited good stability and repeatability for the separation of chiral compounds. The relative standard deviations for five replicate separations of 1‐phenylethanol were less than 1.0, 1.5, 3.0, and 2.0% for the retention time, peak area, number of theoretical plates, and resolution, respectively. The research results demonstrated the development of chiral metal–organic frameworks core‐shell microspheres composite provide a promising platform for their practical application in chiral separation fields.
Long‐term outcomes of 2‐day training on planning and writing research on publication output of medical professionals: 11‐year cohort study
Authors: Šimić Josip , Marušić Matko , Gelo Marijana , Šaravanja Nikolina , Mišak Aleksandra , Marušić Ana 
Published: September 2021

AbstractWe evaluated long‐term publication outcomes of a workshop on planning and writing a research article attended by medical professionals. A prospective cohort study included 243 participants (68 men and 175 women) attending 18‐h workshops on research planning and writing and 243 controls (78 men and 165 women) identified by participants as their professional peers. A total of 17 workshops was organized by the editors of the Croatian Medical Journal, Zagreb, Croatia, from 2003 to 2011. We measured the number of publications, citations and H‐indices in the Web of Science and Scopus databases from the time of each workshop to the end of 2017. While workshop participants and their controls had similar publication output before the workshops, workshop participants published significantly more scientific articles and had higher citation rates and H‐index after the workshops. For the subgroup of authors who were all followed up for 11 years (n = 398), the increase in the number of articles became apparent in the third post‐workshop year, and levelled out after the eighth post‐workshop year. Workshop attendance proved to be a significant predictor of post‐workshop publishing even when controlled for age, gender, and previous publications (OR = 3.547, CI = 2.320–5.423, p < 0.001), indicating that short‐term workshops on planning and writing research may be an important tool to increase long‐term scientific productivity of medical professionals.
Correlation of Thermoelectric Performance, Domain Morphology and Doping Level in PEDOT:PSS Thin Films Post‐Treated with Ionic Liquids
Authors: Oechsle Anna Lena , Heger Julian E. , Li Nian , Yin Shanshan , Bernstorff Sigrid , Müller‐Buschbaum Peter 
Published: September 2021

AbstractIonic liquid (IL) post‐treatment of poly(3,4‐ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) thin films with ethyl‐3‐methylimidazolium dicyanamide (EMIM DCA), allyl‐3‐methylimidazolium dicyanamide (AMIM DCA), and 1‐ethyl‐3‐methylimidazolium tetracyanoborate (EMIM TCB) is compared. Doping level modifications of PEDOT are characterized using UV–Vis spectroscopy and directly correlate with the observed Seebeck coefficient enhancement. With conductive atomic force microscopy (c‐AFM) the authors investigate changes in the topographic‐current features of the PEDOT:PSS thin film surface due to IL treatment. Grazing incidence small‐angle X‐ray scattering (GISAXS) demonstrates the morphological rearrangement towards an optimized PEDOT domain distribution upon IL post‐treatment, directly facilitating the interconductivity and causing an increased film conductivity. Based on these improvements in Seebeck coefficient and conductivity, the power factor is increased up to 236 µW m−1K−2. Subsequently, a model is developed indicating that ILs, which contain small, sterically unhindered ions with a strong localized charge, appear beneficial to boost the thermoelectric performance of post‐treated PEDOT:PSS films.
Triple‐band ultra‐thin linear to circular polarization converter based on transmission metasurface
Authors: Yuan Lili , Hou Lei , Yang Zhengyi , Zhang Zheng‐ping 
Published: September 2021

AbstractIn this article, a triple‐band linear‐to‐circular transmissive polarization converter based on metasurface is proposed, which can transform a linearly polarized incident wave into right‐hand circularly polarized wave and left‐hand circularly polarized wave in three nonadjacent frequency bands. Since the proposed polarization converter has a novel structure with only one metallic layer, the proposed converter is ultra‐thin. After simulating, the results demonstrate that the axial ratio of the proposed transmissive circularly converter is below 3‐dB in 7.3–10.4 GHz, 11.9–18.7 GHz and 21.6–29.6 GHz. Additionally, the physical mechanism of multiple resonances is discussed based on equivalent circuit model. Moreover, a prototype is fabricated and measured; the experimental and simulation results are in good agreement. This polarization converter can be employed to manipulate the polarization state of signals in microwave communication.
A batch delivery mechanism of network update in software‐defined wide area networks
Authors: Zhang RongBo , Li Xin , Niu Jibin , Wang Yinqing 
Published: September 2021

SummaryIn software‐defined network (SDN) architecture, the network decisions are all located on a logically centralized controller. Based on installing rules into switches of the data plane, the controller directly initiates and schedules a network update and which will cause a delay in the completion time of a network update. The situation is aggravated in wide area networks (WANs) further due to the switches deployed in a wide geographical area bring long propagation delay. On account of adopting the in‐band transmission style to deliver control messages instead of dedicated control channels is economics in WANs, the retransmission of control messages causing by congestion of the data channels is another unbearable delay source. This paper describes a new control information batch delivery mechanism (CIBDM) of network updates to relieve the delay and enhance the reliability of control message transmission in SD‐WANs. The characteristics of the novel scheme include the following: (1) every control information message may contain multiple update information of different forwarding devices, and each update information consists of a set of update instructions with dependencies; (2) by using a similar mechanism of onion routing, in the delivering process of control messages, it attains the security for each control rule of the specified devices; (3) with delegating the update consistency coordination into the data plane, it improves network update on the completion time. A comprehensive evaluation runs on 10 network topologies selected from all over the world. Experimental results show that CIBDM achieves rapid network updates with reliable message transmission.
Associations of dietary inflammatory potential with postpartum weight change and retention: Results from a cohort study
Authors: Qin Yuting , Chen Ying , Zhang Zhiwei , Huang Shaoming , Jiao Changya , Zhang Zheqing , Mao Limei 
Published: September 2021

AbstractObjectiveThis study examined the associations of Dietary Inflammatory Index (DII) with weight outcomes within 1 year post partum.MethodsThis analysis included women who participated in a cohort study in South China (n = 468). The assessments included maternal height, weight, and dietary intake. The latter variable was based on three consecutive 24‐hour food records collected at 2 weeks and 1 year after childbirth and was used to calculate the energy‐adjusted DII (EDII) scores during and after puerperium, respectively. A general linear regression was performed to examine the relationships between the EDII scores and postpartum weight outcomes after adjusting for confounders.ResultsIn an analysis adjusted for confounders, the EDII during puerperium was positively associated with the weight change from 3 to 42 days (β: 0.42, 95% CI: 0.11‐0.70). The EDII after puerperium was positively correlated with the weight changes from 42 days to 1 year (β: 0.52, 95% CI: 0.02‐1.02) and from 3 days to 1 year (β: 0.63, 95% CI: 0.13‐1.14), as well as with the postpartum weight retention at 1 year after childbirth (β: 0.75, 95% CI: 0.29‐1.22).ConclusionsThe results indicate that a diet with a high EDII score might minimize postpartum weight loss and promote higher postpartum weight retention.
Assessing physical access to healthy food across United Kingdom: A systematic review of measures and findings
Authors: Titis Elzbieta , Procter Rob , Walasek Lukasz 
Published: September 2021

AbstractBackgroundExisting research suggests that physical access to food can affect diet quality and thus obesity rates. When defining retail food environment (RFE) quantitatively, there is a little agreement on how to measure “lack of healthy food” and what parameters to use, resulting in a heterogeneity of study designs and outcome measures. In turn, this leads to a conflicting evidence base being one of the many barriers to using evidence in policy‐making.AimsThis systematic review aimed to identify and describe methods used to assess food accessibility in the United Kingdom (UK) to overcome heterogeneity by providing a classification of measures.Materials & MethodsThe literature search included electronic and manual searches of peer‐reviewed literature and was restricted to studies published in English between January 2010 and March 2021. A total of 9365 articles were assessed for eligibility, of which 44 articles were included in the review. All included studies were analysed with regards to their main characteristics (e.g., associations between variables of interest, setting, sample, design, etc.) and definition of RFE and its metrics. When defining these metrics, the present review distinguishes between a point of origin (centroid, address) from which distance was calculated, summary statistic of accessibility (proximity, buffer, Kernel), and definition of distance (Euclidean, network distance). Trends, gaps and limitations are identified and recommendations made for food accessibility research in UK.ResultsMultiple theoretical and methodological constructs are currently used, mostly quantifying distance by means of Euclidean and ring‐buffer distance, using both proximity‐ and density‐based approaches, and ranging from absolute to relative measures. The association between RFE and diet and health in rural areas, as well as a spatiotemporal domain of food access, remains largely unaccounted.DiscussionEvidence suggests that the duration of exposure may bear a greater importance than the level of exposure and that density‐based measures may better capture RFE when compared with proximity‐based measures, however, using more complex measures not necessarily produce better results. To move the field forward, studies have called for a greater focus on causality, individual access and the use of various measures, neighbourhood definitions and potential confounders to capture different aspects and dimensions of the RFE, which requires using univariate measures of accessibility and considering the overall context in terms of varying types of neighbourhoods.ConclusionIn order to render ongoing heterogeneity in measuring RFE, researchers should prioritise measures that may provide a more accurate and realistic account of people’s lives and follow an intuitive approach based on convergence of results until consensus could be reached on using some useful standards.
LC–MS metabolomics analysis of Stevia rebaudiana Bertoni leaves cultivated in Malaysia in relation to different developmental stages
Authors: Lee Soo Yee , Shaari Khozirah 
Published: September 2021

AbstractIntroductionStevia is known for its sweet taste, attributed to the presence of steviol glycosides. Although reports on the dynamic changes of steviol glycosides during development of stevia are available, the data are mainly focused on stevioside and rebaudioside A. Information concerning the comprehensive metabolite profile of stevia in relation to different developmental stages is still lacking.ObjectiveThis study investigated the metabolite changes along the developmental stages of a local stevia cultivar.MethodologyStevia leaves were harvested at 4 different developmental stages (early vegetative, late vegetative, budding, and flowering). Samples were then subjected to LC–MS metabolomics analysis to determine the metabolite variations.ResultsA total of 55 metabolites, comprising phenolic acids, flavonoids, and terpenoids were identified by MS/MS analysis of the stevia leaf extracts, revealing a metabolite profile which was comparatively similar with those of cultivars grown in other countries. PLS‐DA differentiated the early vegetative stage stevia leaf samples from those of the later stages by higher content of phenolic acids. The leaf metabolomes of the later 3 stages (late vegetative, budding, and flowering) were collectively richer in flavonoids. Meanwhile, the content of steviol glycosides is highest during the late vegetative and budding stages.ConclusionThe present study provided, for the first time, a general overview of the metabolite variations with regard to the different developmental stages of stevia. The information may facilitate decision making of suitable harvesting times for higher yields of steviol glycosides or a more balanced metabolite profile in terms of pharmacologically useful metabolites.
Elucidating the impact of side chain dispersity on the assembly of bottlebrush polymers at the air‐water interface
Authors: Ogbonna Nduka D. , Dearman Michael , Bharti Bhuvnesh , Peters Andrew J. , Lawrence Jimmy 
Published: September 2021

AbstractThe synthesis of bottlebrush polymers with discrete side chains, their surface pressure isotherm measurements, and thin film molecular dynamics simulations are reported. Our results show that monolayers of bottlebrushes with discrete side chains achieve higher packing densities and exhibit previously unknown, distinct phase transitions that are unseen in their disperse counterparts. The combination of experimental findings and simulation results show that shape‐defined bottlebrush polymers can advance structure–property relationship studies of branched polymers and the theoretical descriptions of polymer monolayer self‐assembly.
Pyrotinibin vitrometabolite profiling via rat, dog and human hepatocytes using liquid chromatography–quadrupole/orbitrap mass spectrometry
Authors: Su Guosheng , Qin Lihua , Su Xiaoye , Tao Chuanmin 
Published: September 2021

RationalePyrotinib is an irreversible EGFR/HER2 inhibitor that has shown antitumor activity and tolerance in the treatment of breast cancer. Studies focused on its metabolic pathways and major metabolites are insufficient. In the evaluation of drug safety and therapeutic use, metabolite characterization is critical. The metabolism of pyrotinibin vitrowas studied utilizing rat, dog and human hepatocytes in this study.MethodsPyrotinib (10 μM) was incubated with hepatocytes in Williams' E medium. The metabolites were examined and profiled using ultrahigh‐performance liquid chromatography coupled with quadrupole/orbitrap high‐resolution mass spectrometry. The metabolite structures were deduced by comparing their precise molecular weights, fragment ions and retention times with those of the parent drug.ResultsA total of 16 metabolites, including 6 novel ones, were discovered and structurally described under the present conditions. Oxidation, demethylation, dehydrogenation,O‐dealkylation and glutathione (GSH) conjugation were all involved in the metabolism of pyrotinib in hepatocytes. The most predominant metabolic route was identified as GSH conjugation (M5).ConclusionsThis study generated valuable metabolite profiles of pyrotinib in several species, which will aid in the understanding of the drug's disposition in various species and in evaluating the contribution of metabolites to overall effectiveness and toxicity of pyrotinib.
Neural‐network‐based adaptive finite‐time output constraint control for rigid spacecrafts
Authors: Xie Shuzong , Tao Meiling , Chen Qiang , Tao Liang 
Published: September 2021

AbstractThis article proposes a neural‐network‐based adaptive finite‐time output constraint control scheme for attitude stabilization of rigid spacecrafts. First, a novel singularity‐free terminal sliding mode variable is constructed and an auxiliary function is developed in the controller design to avoid the singularity problem. Then, an adaptive neural control law is designed to approximate the lumped uncertainty of spacecraft system including inertia uncertainties and external disturbances. Furthermore, a novel finite‐time prescribed performance function is constructed for characterizing the convergence rate and steady state of the spacecraft attitude, such that the attitude can be maintained within a prescribed small region in finite time. Finally, the finite‐time stability of the whole closed‐loop system is analyzed by rigorous theoretical proofs, and comparative simulations are given to show the effectiveness and superiority of the proposed scheme.
Model based systems engineering—A text mining based structured comprehensive overview
Authors: Akundi Aditya , Mondragon Oscar 
Published: September 2021

AbstractAn observed increase in systems scale and complexity has led to a significant momentum in exploring, identifying, and adopting model based systems engineering (MBSE) tools and techniques amongst research communities and industry practitioners. Several attempts to transform systems design and engineering practices through the use of MBSE in academia and industry has led to a considerable increase in the number of articles published containing the keyword “MBSE.” This growth serves as the motivation in this paper to explore the MBSE landscape with the help of text mining techniques to identify the most often used key terms, tools, and languages, in the context of research in MBSE and the thematic aspects defining the use of MBSE by researchers and practitioners. The objective of this paper is to provide a structured comprehensive overview of research contributions across the MBSE landscape by employing text mining techniques for: (a) identifying the concepts and methodologies inferred upon in relation to MBSE, and (b) classifying the literature published to identify commonalities across academic researchers and practitioners using MBSE tools and methods. For this purpose, the abstracts of 2380 relevant articles published in the period of the last two decades from five different databases are mined. It is found that the terms “SysML,” “Cyber Physical Systems,” and “Production” are the most used terms among researchers across the MBSE landscape with SysML being the most widely used modeling language. Further, six major thematic topics are identified that classify articles from over the last two decades with an increasing interest observed in the use of MBSE to support manufacturing and production engineering activities, especially in the cyber physical systems domain. The contributions of this paper provide a leeway on using text mining techniques to understand the research directions that are currently of interest in the field of MBSE and thereby identify potential future research directions.
Molecular evidence of zoonotic Babesia species, other than B. microti, in ixodid ticks collected from small mammals in the Republic of Korea
Authors: Kim Tae Yun , Kim Seong Yoon , Kim Tae‐Kyu , Lee Hee IL , Cho Shin‐Hyeong , Lee Wook‐Gyo , Kim Hyunwoo 
Published: September 2021

AbstractThe occurrence of tick‐borne infectious diseases, including zoonotic babesiosis, has become a serious concern in recent years. In this study, we detected Babesia spp. using polymerase chain reaction (PCR) amplification of the 18S rRNA of the parasites isolated from ixodid ticks collected from small mammals in the Republic of Korea (ROK). Sequence analysis of the PCR amplicon revealed the presence of B. duncani, B. venatorum, B. capreoli/divergens, and, the most prevalent, B. microti in the ticks. The molecular phylogenetic analysis showed that the four species‐specific18S rRNA sequences clustered in four distinct clades. This is the first study to provide molecular evidence for the presence of zoonotic Babesia spp. other than B. microti in ticks in the ROK.