bluuebunny/crossref_metadata_2025_split huggingface dataset:
Factors associated with timely initiation of antenatal care among pregnant women in Bahir Dar city, Northwest Ethiopia: Cross‐sectional study
Authors: Tesfu Azimeraw Arega , Aweke Amlaku Mulat , Gela Getahun Belay , Wudineh Kihinetu Gelaye , Beyene Fentahun Yenealem 
Published: December 2021

AbstractAimThis study aimed to assess the timely initiation of Antenatal Care and associated factors among pregnant women attending antenatal care clinics at Bahir Dar city, North West Ethiopia.DesignInstitutional based cross‐sectional study was conducted.MethodsData were collected on 804 pregnant women from 20 February to 27 March 2017. Face‐to‐face interview through systematic sampling technique was applied. Binary logistic regression was performed using SPSS software version 21, and the level of significance of association was determined at p‐value <0.05 with a 95%confidence interval.ResultsThis study identified 44.2% of pregnant women started their first antenatal care timely. Maternal secondary and above level of education AOR = 7.07 (95% CI: 4.41, 11.35)), age at first pregnancy >18 years AOR = 2.77 (95% CI: 1.39, 5.57) and having information about the correct time of ANC booking AOR = 3.14 (95% CI: 1.67, 5.92) were significantly associated with timely commencement to first antenatal care.
Modified equation based mesh adaptation algorithm for evolutionary scalar partial differential equations
Authors: Dubey Ritesh Kumar , Mishra Prabhat 
Published: December 2021

AbstractIt is well known that on uniform mesh classical higher order schemes for evolutionary problems yield an oscillatory approximation of the solution containing discontinuity or boundary layers. In this article, an entirely new approach for constructing locally adaptive mesh is given to compute nonoscillatory solution by representative “second” order schemes. This is done using modified equation analysis and a notion of data dependent stability of schemes to identify the solution regions for local mesh adaptation. The proposed algorithm is applied on scalar problems to compute the solution with discontinuity or boundary layer. Presented numerical results show underlying second order schemes approximate discontinuities and boundary layers without spurious oscillations.
Investigation of initiator metal efficiency in the ring‐opening polymerization of lactones: an experimental and computational study
Authors: Gümüştaş Sıla , Balcan Mehmet , Kinal Armağan 
Published: December 2021

AbstractPoly(δ‐valerolactone) (PVL) was synthesized by ring‐opening polymerization (ROP), employing tin(II) acetate (SnAcet2), lead(II) acetate trihydrate (PbAcet2·3H2O) and cadmium(II) acetate dihydrate (CdAcet2·2H2O) complexes as initiators without any co‐initiator. The highest molecular weight PVL (45 438 g mol−1, 91% yield) was obtained with CdAcet2·2H2O. Characterization of the synthesized products was performed by FTIR, 1H NMR, 13C NMR, gel permeation chromatography (GPC), matrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry (MALDI‐TOF/TOF MS), TGA and DSC. Electrostatic data (natural bond orbital and Hirshfeld) and lowest unoccupied molecular orbital (LUMO) of the initiators were obtained by using several density functional theory methods (B3LYP, ωB97X‐D, PBEPBE, BPV86, HSEH1PBE, MPW1PW91, M06 and M062X). In addition, the initiation stage of the ROP mechanism of δ‐valerolactone with these metal acetate complexes was investigated at the ωB97X‐D level with a mixed basis set. It was computationally determined that the most effective initiator was also CdAcet2. The molecular weight variation of PVLs synthesized with these initiators can be associated with the combined evaluation of atomic charge, LUMO and orbital overlap analyses. The computationally obtained reaction barriers for the initiators support this idea, also. In addition, toxicity tests carried out for PVLs synthesized with acetate complexes containing Sn, Cd and Pb revealed that the Sn and Cd complexes do not have a toxic effect on cell viability at some dilution rates. © 2021 Society of Industrial Chemistry.
The mechanism of photoconversion of cyclic dinitrone to oxaziridine and dioxaziridine: A computational investigation of an experimentally reported photochemical reaction
Authors: Sen Sindhuja , Sisodiya Dilawar Singh , Chattopadhyay Anjan 
Published: December 2021

AbstractThe unexplored photochemistry behind the conversion of cyclic dinitrone to oxaziridine and dioxaziridine has been investigated computationally. The mechanism behind the experimentally reported photo‐conversion reaction of 2,2,4,5‐tetramethyl‐2H‐imidazole‐1,3‐dioxide has been analyzed. The allowed S0‐S1 transition in this cyclic dinitrone system is characterized by a transition moment value of 3 Debye. The photo‐excitation to the vertically excited S1 state is subsequently followed by a passage through low‐lying conical intersection(S0/S1). This photoproduct oxaziridine can undergo reverse transformation to the parent dinitrone through a transition state (barrier height 30–40 kcal/mol) with imaginary frequency value close to 1000i cm−1. Under photo‐irradiation, oxaziridine of this dioxide system can undergo strongly allowed singlet‐singlet transition, characterized by HOMO LUMO excitation with transition moment value close to 2.70 Debye. Subsequently, formations of the trans‐ and cis‐dioxaziridines take place through S0/S1 conical intersections.
A semimechanistic population pharmacokinetic and pharmacodynamic model incorporating autoinduction for the dose justification of TAS‐114
Authors: Araki Hikari , Takenaka Toru , Takahashi Koichi , Yamashita Fumiaki , Matsuoka Kazuaki , Yoshisue Kunihiro , Ieiri Ichiro 
Published: December 2021

AbstractTAS‐114 is a dual deoxyuridine triphosphatase (dUTPase) and dihydropyrimidine dehydrogenase (DPD) inhibitor expected to widen the therapeutic index of capecitabine. Its maximum tolerated dose (MTD) was determined from a safety perspective in a combination study with capecitabine; however, its inhibitory effects on DPD activity were not assessed in the study. The dose justification to select its MTD as the recommended dose in terms of DPD inhibition has been required, but the autoinduction profile of TAS‐114 made it difficult. To this end, an approach using a population pharmacokinetic (PPK)/pharmacodynamic (PD) model incorporating autoinduction was planned; however, the utility of this approach in the dose justification has not been reported. Thus, the aim of this study was to demonstrate the utility of a PPK/PD model incorporating autoinduction in the dose justification via a case study of TAS‐114. Plasma concentrations of TAS‐114 from 185 subjects and those of the endogenous DPD substrate uracil from 24 subjects were used. A two‐compartment model with first‐order absorption with lag time and an enzyme turnover model were selected for the pharmacokinetic (PK) model. Moreover, an indirect response model was selected for the PD model to capture the changes in plasma uracil concentrations. Model‐based simulations provided the dose justification that DPD inhibition by TAS‐114 reached a plateau level at the MTD, whereas exposures of TAS‐114 increased dose dependently. Thus, the utility of a PPK/PD model incorporating autoinduction in the dose justification was demonstrated via this case study of TAS‐114.
A novel protocol for in‐depth analysis of recombinant adeno‐associated virus capsid proteins using UHPLC–MS/MS
Authors: Zarei Mostafa , Wang Peng , Jonveaux Jérôme , Haller Friedrich M. , Gu Bingnan , Koulov Atanas V. , Jahn Michael 
Published: December 2021

RationaleIn‐depth characterization of the three capsid viral proteins (VPs 1, 2, and 3) of adeno‐associated viruses (AAVs) is immediately needed to ensure the consistency in gene therapy products and processes. These proteins are typically present at very low concentrations in matrices containing high concentrations of excipients and salts. Thus, there is a need for convenient methods for sample preparation before proteomic analysis. The aim of this study was to meet this need by developing a fast, reliable approach for isolating VPs in a manner enabling their efficient digestion and in‐depth characterization using liquid chromatography–mass spectrometry (LC–MS).MethodsVPs from Anc80 were precipitated with different organic solvents, and the resulting precipitates were dissolved in either sodium deoxycholate (SDC) and N‐dodecyl‐beta‐D‐maltoside (DDM) or guanidine hydrochloride (Gu‐HCl). The peptides obtained by the following enzymatic digestion by either trypsin or Asp‐N were analyzed using LC–MS/MS.ResultsWe found that precipitation with chloroform/methanol/water results in fast, efficient preparation of VP samples, allowing 100% and 99.2% amino acid sequence coverage of VP1 for trypsin and Asp‐N digestion, respectively. This also allowed complete sequence confirmation of VP1, VP2, and VP3 of Anc80, as well as characterization of the amino acid sequences of the N‐ and C‐terminal regions of each VP, together with their post‐translational modifications (PTMs).ConclusionsThe presented method enables fast, reliable, and relatively cheap sample preparation for identifying AAV serotypes and characterizing the heterogeneity of capsid viral proteins, including their PTMs.
Proof of concept study for using UR10 robot to help total hip replacement
Authors: Walker Peter , Li Tiancheng , Khonasty Richardo , Ponnanna K. M. , Kuo Alexander , Zhao Liang , Huang Shoudong 
Published: December 2021

AbstractBackgroundThe demand for total hip replacement (THR) for treating osteoarthritis has grown substantially worldwide. The existing robotic systems used in THR are invasive and costly. This study aims to develop a less‐invasive and low‐cost robotic system to assist THR surgery.MethodsA preliminary robotic reaming system was developed based on a UR10 robot equipped with a reamer to cut acetabulum. A novel approach was proposed to cut through a 5 mm hole in femur such that the operation is less invasive to the patients.ResultsThe average error of the cutting hemisphere by the robotic reaming system is 0.1182 mm which is smaller than the average result reaming by hand (0.1301 mm).ConclusionThe robotic reaming can help make THR procedures less invasive and more accurate. Moreover, the system is expected to be significantly less expensive than the robotic systems available in the market at present.
Distributed adaptive impedance control of networked Lagrangian systems with neighborhood interaction feedback
Authors: Chen Zhenlei , Guo Qing , Li Tieshan , Shi Yan 
Published: December 2021

AbstractIn this study, a new distributed impedance control is proposed in networked Lagrangian systems to improve the compliant performance of each node in respective environment. Different from previous state consensus, this control objective focuses on the dynamic impedance cooperation of networked Lagrangian systems. The augmented impedance error is introduced in the distributed impedance control frame to evaluate the compliant performance of the designed controller. Based on this impedance control frame, the virtual interaction field is proposed to address some typical tasks such that avoid node collision and ensure high cooperation of neighborhood nodes. Then a distributed adaptive impedance controller together with the radial basis function neural network is employed to compensate the model uncertainties of networked Lagrangian systems and guarantee each note convergence to the prescribed dynamic impedance model, which is governed by the robot‐environment interaction. Finally, the comparative simulations have verified the effectiveness of the proposed distributed impedance control method.
Bio‐tillage improves soil physical properties and maize growth in a compacted Vertisol by cover crops
Authors: Zhang Zhongbin , Yan Lei , Wang Yuekai , Ruan Renjie , Xiong Peng , Peng Xinhua 
Published: December 2021

AbstractBio‐tillage has recently been proposed as a measure to alleviate soil compaction through biopores created by cover crop roots. The objective of this study was to determine the effect of different cover crops on soil physical properties and the succeeding maize (Zea mays L.) growth in compacted soil. Four treatments, including no cover crop as a control (Con), alfalfa (Medicago sativa L.), oilseed rape (Brassica napus L.), and radish and hairy vetch mixture (Raphanus sativus L. and Vicia villosa Roth), were carried out under both compacted and noncompacted soil conditions. Soil physical properties, such as the volumetric soil water content (SWC), bulk density, saturated hydraulic conductivity (Ks) and air permeability at water potential of −60 hPa (Ka60), and maize root characteristics and yield were measured. The cover crops did not affect the soil bulk density but significantly decreased the SWC in both the compacted and noncompacted soils relative to the Con treatment. The alfalfa treatment presented significantly higher Ks in the noncompacted soil and Ka60 in both the compacted and noncompacted soils than the Con treatment in the soil layer depth of 20–50 cm. The three cover crop treatments improved the maize root biomass density (173.2% for 2018 and 35.6% for 2019) and root length density (50.9% for 2018 and 51.8% for 2019) relative to the Con treatment in the soil layer depth of 10–70 cm in 2018 and soil layer depth of 10–50 cm in 2019 in the compacted soil rather than in the noncompacted soil. Compared with the Con treatment, the radish mixed with hairy vetch treatment in 2018 and the oilseed rape treatment in 2019 significantly enhanced the maize yield in the compacted soil. Our results suggest that alfalfa is the best crop for improving air permeability; however, the oilseed rape and mixture of radish and hairy vetch lead to better maize growth in the compacted soil. Bio‐tillage using cover crops is effective in alleviating soil compaction.
Fast Peel‐Off Ultrathin, Transparent, and Free‐Standing Films Assembled from Low‐Dimensional Materials Using MXene Sacrificial Layers and Produced Bubbles
Authors: Ling Zheng , Wang Fuqiang , Shi Changrui , Wang Zhiyu , Fan Xuanhui , Wang Lu , Zhao Jiafei , Jiang Lanlan , Li Yanghui , Chen Cong , Tang Dawei , Song Yongchen 
Published: December 2021

AbstractUltrathin, transparent, and free‐standing films assembled from low‐dimensional nanomaterials (LDMs) are promising for various applications, including transparent heaters and membranes. However, the intact separation of the assembled films, especially those with controlled ultrathin thickness from deposited substrates, is a tremendous challenge, particularly for fast peeling off via self‐detaching. Herein, we propose a versatile method to rapidly peel off ultrathin assembled LDM films, including three types of carbon nanotubes, vermiculite, Ag nanowires, and carbon nanotube@graphene, by dissolving the MXene interlayer from the layer‐by‐layer filtered MXene/LDM Janus films using diluted H2O2. The MXene sacrificial interlayers play dual roles, including physical isolation of LDM films from filter membranes and the production of bubbles that buoy ultrathin LDM films, making them free‐standing. The integrality and self‐detaching rate of the LDM films are determined by the loading and reactivity of the MXene interlayers. The intact LDM films can self‐detach in 80 s by dissolving the optimized MXene interlayer and producing bubbles. The as‐made free‐standing ultrathin LDM films can be transferred to arbitrary substrates and exhibit outstanding performance as transparent heaters. This scalable method provides an efficient and versatile method to produce ultrathin, transparent, and free‐standing LDM films and finds new applications for the growing MXene family.
Evaluation of plasticity‐based concrete constitutive models under monotonic and cyclic loadings
Authors: Gharavi Ali , Asgarpoor Masoumeh , Epackachi Siamak 
Published: December 2021

SummaryThis paper evaluates the applicability of several concrete models to simulate the behavior of concrete elements under monotonic and cyclic loadings. Several robust constitutive models based on the combination of plasticity and continuum damage or plasticity and smeared crack approach are selected. The behavior of one concrete element is evaluated under different uniaxial compression, uniaxial tension, biaxial compression, biaxial tension, biaxial compression–tension, and triaxial compression loads. Then, the applicability of the concrete models is investigated for two flexural beams under cyclic loading. Five concrete models available in the versatile finite element‐based software LS‐DYNA are selected, including Winfrith, CSCM, RHT, KCC, and CDPM. The prepeak, peak, and postpeak behaviors of all selected models are presented, including initial stiffness, peak strength, strain at peak strength, postpeak stiffness, and failure strain.
Validation of cluster analysis results on validation data: A systematic framework
Authors: Ullmann Theresa , Hennig Christian , Boulesteix Anne‐Laure 
Published: December 2021

AbstractCluster analysis refers to a wide range of data analytic techniques for class discovery and is popular in many application fields. To assess the quality of a clustering result, different cluster validation procedures have been proposed in the literature. While there is extensive work on classical validation techniques, such as internal and external validation, less attention has been given to validating and replicating a clustering result using a validation dataset. Such a dataset may be part of the original dataset, which is separated before analysis begins, or it could be an independently collected dataset. We present a systematic, structured review of the existing literature about this topic. For this purpose, we outline a formal framework that covers most existing approaches for validating clustering results on validation data. In particular, we review classical validation techniques such as internal and external validation, stability analysis, and visual validation, and show how they can be interpreted in terms of our framework. We define and formalize different types of validation of clustering results on a validation dataset, and give examples of how clustering studies from the applied literature that used a validation dataset can be seen as instances of our framework.This article is categorized under:
Technologies > Structure Discovery and Clustering
Algorithmic Development > Statistics
Technologies > Machine Learning
Conformally soft fermions
Authors: Pano Yorgo , Pasterski Sabrina , Puhm Andrea 
Published: December 2021

Abstract
Celestial diamonds encode the global conformal multiplets of the conformally soft sector, elucidating the role of soft theorems, symmetry generators and Goldstone modes. Upon adding supersymmetry they stack into a pyramid. Here we treat the soft charges associated to the fermionic layers that tie this structure together. This extends the analysis of conformally soft currents for photons and gravitons which have been shown to generate asymptotic symmetries in gauge theory and gravity to infinite-dimensional fermionic symmetries. We construct fermionic charge operators in 2D celestial CFT from a suitable inner product between 4D bulk field operators and spin s = $$ \frac{1}{2} $$

1
2

and $$ \frac{3}{2} $$

3
2

conformal primary wavefunctions with definite SL(2, ℂ) conformal dimension ∆ and spin J where |J| ≤ s. The generator for large supersymmetry transformations is identified as the conformally soft gravitino primary operator with ∆ = $$ \frac{1}{2} $$

1
2

and its shadow with ∆ = $$ \frac{3}{2} $$

3
2

which form the left and right corners of the celestial gravitino diamond. We continue this analysis to the subleading soft gravitino and soft photino which are captured by degenerate celestial diamonds. Despite the absence of a gauge symmetry in these cases, they give rise to conformally soft factorization theorems in celestial amplitudes and complete the celestial pyramid.
Activation of neutral sphingomyelinase 2 through hyperglycemia contributes to endothelial apoptosis via vesicle-bound intercellular transfer of ceramides
Authors: Zietzer Andreas , Jahnel Alina Lisann , Bulic Marko , Gutbrod Katharina , Düsing Philip , Hosen Mohammed Rabiul , Dörmann Peter , Werner Nikos , Nickenig Georg , Jansen Felix 
Published: December 2021

Abstract
Background
Pro-apoptotic and pro-inflammatory ceramides are crucially involved in atherosclerotic plaque development. Local cellular ceramide accumulation mediates endothelial apoptosis, especially in type 2 diabetes mellitus, which is a major cardiovascular risk factor. In recent years, large extracellular vesicles (lEVs) have been identified as an important means of intercellular communication and as regulators of cardiovascular health and disease. A potential role for lEVs as vehicles for ceramide transfer and inductors of diabetes-associated endothelial apoptosis has never been investigated.

Methods and Results
A mass-spectrometric analysis of human coronary artery endothelial cells (HCAECs) and their lEVs revealed C16 ceramide (d18:1–16:0) to be the most abundant ceramide in lEVs and to be significantly increased in lEVs after hyperglycemic injury to HCAECs. The increased packaging of ceramide into lEVs after hyperglycemic injury was shown to be dependent on neutral sphingomyelinase 2 (nSMase2), which was upregulated in glucose-treated HCAECs. lEVs from hyperglycemic HCAECs induced apoptosis in the recipient HCAECs compared to native lEVs from untreated HCAECs. Similarly, lEVs from hyperglycemic mice after streptozotocin injection induced higher rates of apoptosis in murine endothelial cells compared to lEVs from normoglycemic mice. To generate lEVs with high levels of C16 ceramide, ceramide was applied exogenously and shown to be effectively packaged into the lEVs, which then induced apoptosis in lEV-recipient HCAECs via activation of caspase 3. Intercellular transfer of ceramide through lEVs was confirmed by use of a fluorescently labeled ceramide analogue. Treatment of HCAECs with a pharmacological inhibitor of nSMases (GW4869) or siRNA-mediated downregulation of nSMase2 abrogated the glucose-mediated effect on apoptosis in lEV-recipient cells. In contrast, for small EVs (sEVs), hyperglycemic injury or GW4869 treatment had no effect on apoptosis induction in sEV-recipient cells.

Conclusion
lEVs mediate the induction of apoptosis in endothelial cells in response to hyperglycemic injury through intercellular transfer of ceramides.

Graphical abstract