bluuebunny/crossref_metadata_2025_split huggingface dataset:
Profiling the influence of physicochemical parameters on the microbial community and flavor substances of zaopei
Authors: Zhang Mingzhu , Wu Xuefeng , Mu Dongdong , Xu Boyang , Xu Xianghui , Chang Qiang , Li Xingjiang 
Published: May 2021

AbstractBACKGROUNDStrong‐flavor baijiu is a traditional distilled alcoholic beverage with a long history in China. The fermented grains play a pivotal role in the production of baijiu. The purpose of this study was to evaluate and compare the microbiota and flavor substances present in fermented zaopei (ZP) from pits of different ages. High‐throughput sequencing, headspace solid‐phase microextraction gas chromatography–mass spectrometry, principal component analysis, community composition analysis, and redundancy analysis were used to analyze and evaluate the impact of environmental factors on microbial communities and flavor substances.RESULTSSix genera of bacteria (e.g., Caproiciproducens, Syntrophaceticus, Sedimentibacter, Hydrogenispora, Pelotomaculum and Bacillus) and seven genera of fungi (Cladosporium, Debaryomyces, Dipodascus, Auxarthron, Cephalotrichum, unclassified Stachybotryaceae, unclassified Microascaceae and Cephalotrichum) notably affected the production of hexanoic acid (an important flavor compound). Moisture and alcohol content also had considerable effects on the production of the flavor compounds such as ethyl lactate, hexanoic acid, and ethyl hexanoate. The profiles of volatile compounds present in ZP were different between the aged and new pits; these profiles were mainly reflected in the concentration and types of alcohols, aldehydes, esters, and aromatic compounds.CONCLUSIONSThis paper provides a comprehensive overview of the physicochemical parameters, flavor substances, and microbial population distribution of ZP. Characterization of various ZP samples help to elucidate the fermentation mechanisms and offer a theoretical reference to control and enhance the quality of Baijiu. © 2021 Society of Chemical Industry.
Development of an LC‐MS/MS method for simultaneous quantitative analysis of macromolecular pharmaceutical adjuvant 2‐hydroxypropyl‐β‐cyclodextrin and active pharmaceutical ingredients butylphthalide in rat plasma
Authors: Li Wanjun , Cang Song , Sun Zheng , Bi Kaishun , Li Qing , Li Zuojing , Liu Ran 
Published: May 2021

AbstractHydroxypropyl‐β‐cyclodextrin, which possesses a high water solubility and low hemolycity, is widely used as a solubilizer and an excipient. It had also been reported that hydroxypropyl‐β‐cyclodextrin has the activity of regulating lipid homeostasis. In order to further understand the metabolism, the primary focus was to establish a quantitative method for hydroxypropyl‐β‐cyclodextrin. The analytes were extracted from plasma by protein precipitation with methanol and then carried out on a Waters CORTECS T3 column in the gradient elution of pure water and methanol. Finally, liquid chromatography‐tandem mass spectrometry was applied in multiple reaction monitoring mode to complete the quantitative analysis of hydroxypropyl‐β‐cyclodextrin. This validated method had been successfully applied to investigate the interaction between hydroxypropyl‐β‐cyclodextrin and butylphthalide in vivo by optimizing the extraction reagent, simplifying the experimental procedure, and improving the sensitivity while considering the difference of drug chemical properties. Results showed that the inclusion of hydroxypropyl‐β‐cyclodextrin with butylphthalide significantly improved the pharmacokinetic behavior of free body hydroxypropyl‐β‐cyclodextrin and 3‐n‐butylphthalide in vivo. It had been implied that the metabolism of hydroxypropyl‐β‐cyclodextrin and the drug active ingredients could impact each other. It will help better application of hydroxypropyl‐β‐cyclodextrin and the developed method might lay the foundation for development of hydroxypropyl‐β‐cyclodextrin as a treatment drug for brain diseases.
Comparison of four extraction methods for the detection of hepatitis B virus DNA in dried blood spot samples
Authors: Bezerra Cristianne Sousa , Portilho Moyra Machado , Frota Cristiane Cunha , Villar Lívia Melo 
Published: May 2021

AbstractThe dried blood spot (DBS) samples are a useful resource for viral DNA isolation and important in increasing access to HBV diagnosis. However, the choice of the DNA extraction method is crucial for reliable results. We compared the reliability of four DNA extraction methods using DBS samples for the qualitative and quantitative detection of HBV. A panel of serially diluted HBV DNA in whole blood was spotted onto filter paper (Whatman 903 paper and Whatman FTA cards). Four methods were used to extract DNA: QIAamp® DNA Blood Mini Kit (Qiagen); High Pure Viral Nucleic Acid Kit (Roche); Invisorb Spin Blood Midi Kit (Invitek), and DBS Genomic DNA Isolation Kit (Norgen Biotek). Two qualitative PCRs for the core and surface gene regions of HBV were used, and in‐house real‐time PCR was also evaluated. It was possible to detect HBV DNA using all extraction and PCR protocols. The lowest limit of detection was found using Whatman 903 paper, Roche extraction, and qualitative PCR (20 copies of HBV DNA per ml) for the surface/polymerase HBV region. In the case of in‐house real‐time PCR, the lowest limit of detection was found using both Roche and Qiagen assays (estimated 2 × 103 copies per ml). These results suggest the importance of both the extraction method and PCR protocol in detecting HBV DNA in DBS. This study provides insights into the utility of DBS samples in HBV molecular diagnosis and their feasibility in low resource areas where cold storage and transportation may be difficult.
Growth of slip surfaces in 3D conical slopes
Authors: Klein Boaz , Puzrin Alexander M. 
Published: May 2021

AbstractOut‐of‐plane curvature of real submarine slopes imposes limitations on applicability of existing planar criteria for catastrophic growth of slip surfaces. In this paper, the growth of an initially weakened zone in three‐dimensional (3D) convex and concave slopes is investigated using the process zone approach. The geometry of the problem is presented in a curvilinear coordinate system for which the governing equations for the three‐dimensional slip surface growth are derived. Solution of these equations for an axisymmetric problem is obtained both analytically and numerically (using a finite differences scheme) and benchmarked against Coupled Eulerian‐Lagrangian finite element simulations. It is shown that the application of the planar slope solution to conical slopes constitutes an overestimation of the slope's stability. The closed form criteria for an unstable 3D slip surface growth in both convex and concave slopes are proposed and validated by fitting numerical results for various sizes and aspect ratios of the initially pre‐softened zone.
A multi‐vehicle covering tour problem with speed optimization
Authors: Margolis Joshua T. , Song Yongjia , Mason Scott J. 
Published: May 2021

AbstractIn the multi‐vehicle covering tour problem with speed optimization, we aim to construct a set of maximal coverage routes for a fleet of vehicles that serve (observe) a set of secondary sites, given a fixed time schedule and coverage requirements. We develop an exact solution approach using a branch‐and‐price framework with a label‐correcting algorithm and a set of innovative dominance rules to solve the resulting pricing problem. We also develop a two‐stage heuristic capable of finding effective initial solutions. In addition, we consider practical extensions to the model by incorporating risk thresholds, energy capacities, and time windows. To validate our proposed solution approaches, we perform an extensive set of numerical experiments. Numerical results show the computational advantage of our proposed solution approaches compared with a state‐of‐the‐art commercial solver.
Low‐rank tensor completion with sparse regularization in a transformed domain
Authors: Wang Ping‐Ping , Li Liang , Cheng Guang‐Hui 
Published: May 2021

AbstractTensor completion is a challenging problem with various applications, especially in recovering incomplete visual data. Considering a color image or gray video as a three‐dimensional tensor, many related models based on the low‐rank prior of the tensor have been proposed. However, the low‐rank prior may not be enough to recover the original tensor from the observed incomplete tensor. In this paper, we propose a tensor completion method to recover color images and gray videos by exploiting both the low‐rank and sparse prior of the observed tensor. Specifically, the tensor completion task can be formulated as a low‐rank minimization problem with a sparse regularizer. The low‐rank property is depicted by the tensor truncated nuclear norm based on tensor singular value decomposition which is a better approximation of tensor tubal rank than tensor nuclear norm. While the sparse regularizer is imposed by a ℓ1‐norm in a discrete cosine transformation domain, which can better employ the local sparse property of the incomplete data. To solve the optimization problem, we employ an alternating direction method of multipliers in which we only need to solve several subproblems which have closed‐form solutions. Substantial experiments on real‐world images and videos show that the proposed method has better performances than the existing state‐of‐the‐art methods.
Moral Distress and Resilience Associated with Cancer Care Priority Setting in a Resource-Limited Context
Authors: DeBoer Rebecca J. , Mutoniwase Espérance , Nguyen Cam , Ho Anita , Umutesi Grace , Nkusi Eugene , Sebahungu Fidele , Van Loon Katherine , Shulman Lawrence N. , Shyirambere Cyprien 
Published: May 2021

Abstract

Background
Moral distress and burnout are highly prevalent among oncology clinicians. Research is needed to better understand how resource constraints and systemic inequalities contribute to moral distress in order to develop effective mitigation strategies. Oncology providers in low- and middle-income countries are well positioned to provide insight into the moral experience of cancer care priority setting and expertise to guide solutions.

Methods
Semistructured interviews were conducted with a purposive sample of 22 oncology physicians, nurses, program leaders, and clinical advisors at a cancer center in Rwanda. Interviews were recorded, transcribed verbatim, and analyzed using the framework method.

Results
Participants identified sources of moral distress at three levels of engagement with resource prioritization: witnessing program-level resource constraints drive cancer disparities, implementing priority setting decisions into care of individual patients, and communicating with patients directly about resource prioritization implications. They recommended individual and organizational-level interventions to foster resilience, such as communication skills training and mental health support for clinicians, interdisciplinary team building, fair procedures for priority setting, and collective advocacy for resource expansion and equity.

Conclusion
This study adds to the current literature an in-depth examination of the impact of resource constraints and inequities on clinicians in a low-resource setting. Effective interventions are urgently needed to address moral distress, reduce clinician burnout, and promote well-being among a critical but strained oncology workforce. Collective advocacy is concomitantly needed to address the structural forces that constrain resources unevenly and perpetuate disparities in cancer care and outcomes.

Implications for Practice
For many oncology clinicians worldwide, resource limitations constrain routine clinical practice and necessitate decisions about prioritizing cancer care. To the authors’ knowledge, this study is the first in-depth analysis of how resource constraints and priority setting lead to moral distress among oncology clinicians in a low-resource setting. Effective individual and organizational interventions and collective advocacy for equity in cancer care are urgently needed to address moral distress and reduce clinician burnout among a strained global oncology workforce. Lessons from low-resource settings can be gleaned as high-income countries face growing needs to prioritize oncology resources.
Predicting performance on a statewide reading achievement test in Spanish with aimswebPlus Spanish
Authors: Klingbeil David A. , Osman David J. , Carberry Caroline K. , Carrigan Jamison E. , Berry‐Corie Kimberly 
Published: May 2021

AbstractThe Every Student Succeeds Act requires that states make efforts to offer statewide achievement tests in languages, other than English, that are present to a significant extent in the state. Currently, four states offer Spanish reading or language arts assessments as part of their statewide testing program. In these states, practitioners may be interested in screening students who will complete the Spanish assessments to identify those who are at risk for poor performance. Spanish versions of curriculum‐based measures of reading appear well suited for this purpose. We conducted a retrospective analysis of data collected in a high‐performing district in Texas to investigate the predictive validity and diagnostic accuracy associated with the aimswebPlus Spanish scores when predicting statewide Spanish reading assessment performance for students in Grades 3 through 5. Across grades and seasons, the aimswebPlus Spanish scores explained a small amount of variance in statewide Spanish reading assessment (r
2 = 0.17–0.30). When risk on the aimswebPlus was determined using the national 35th percentile, screening decisions were associated with poor sensitivity (range = 0.50–0.72). Decisions were associated with higher specificity (range = 0.67–0.84) with adequate specificity obtained in four of six comparisons. Limitations, practical implications, and future research directions are discussed.
Synthesis of branched polyisobutylenes via cationic copolymerization of p‐chloromethylstyrene and isobutylene
Authors: Yang Ke , Liu Qiang , Wen Shuai , Zhuang Tao 
Published: May 2021

AbstractBranched polyisobutylenes (PIBs) with relatively low dispersities (1.4–1.8) and benzylic halide functionalities are synthesized by self‐condensing vinyl cationic copolymerization of p‐chloromethylstyrene (p‐CMS) and isobutylene (IB) coinitiated by TiCl4. It is found that the [IB]/[p‐CMS] feed ratio plays a crucial role for the initiating behavior of p‐CMS: the initiation arising from p‐CMS is suppressed at [IB]/[p‐CMS] ≥17; in contrast, the pendant benzyl chloride moiety of p‐CMS monomer in the formed copolymer chains can initiate branching reactions. The resulting branched PIBs are of a gradient composition as well as a gradual increase in branching density due to large disparity in reactivity ratios. This strategy is successfully employed to create branched PIBs with low to moderate molecular weights (Mn, 5 k–78 k Da) through controlling the monomer/initiator mole ratio. However, it is shown that this method failed to obtain branched PIBs with high Mn, bearing a complicated copolymerization mechanism.
Pediatric flexible bronchoscopy: A single‐center report
Authors: Ferraro Valentina Agnese , Baraldi Eugenio , Stabinger Diana , Zamunaro Andrea , Zanconato Stefania , Carraro Silvia 
Published: May 2021

AbstractIntroductionPediatric flexible laryngotracheal bronchoscopy (FB) is an integral part of diagnostics and treatment at tertiary pediatric respiratory centers.AimFBs performed between 2013 and 2018 at our Pediatric Allergy and Respiratory Medicine Unit of the Department of Women's and Children's Health at Padua University were examined in terms of the indications, findings, and adverse events.Materials and MethodsThe electronic medical records of pediatric patients who underwent FB at least once between 1 January 2013 and 31 December 2018 were considered. Patients' clinical data, indications for FB, anatomical findings, information derived from bronchoalveolar lavage (BAL) and bronchial brushing, and possible adverse events were analyzed.ResultsThere were 447 pediatric FBs performed in 428 patients (aged from 1 month to 18 years) for diagnostic purposes (92.4%), to clear secretions (3.6%), or to monitor a known condition (4.0%). The main indications were recurrent lower respiratory tract infections (LRTI, 32.2%) and chronic wet cough (9.4%). Lower airway malacia was the most common abnormal finding in these two groups (36.1% and 28.6%, respectively). BAL bacterial culture was positive in 55 children (39.6%) with recurrent LRTI and in 25 (59.5%) with chronic wet cough, being Haemophilus influenzae, Streptococcus pneumoniae, and Moraxella catarrhalis the microorganisms most commonly isolated. FB proved a safe procedure and was well tolerated.ConclusionsPediatric FB is an essential tool at our tertiary pediatric respiratory center. It helps establish the anatomical conditions underlying several chronic respiratory conditions and any correlated microbiological findings, with a significant impact on further patient management.
The order of PDZ3 and TrpCage in fusion chimeras determines their properties—a biophysical characterization
Authors: Bousova Kristyna , Bednarova Lucie , Zouharova Monika , Vetyskova Veronika , Postulkova Klara , Hofbauerová Kateřina , Petrvalska Olivia , Vanek Ondrej , Tripsianes Konstantinos , Vondrasek Jiri 
Published: May 2021

AbstractMost of the structural proteins known today are composed of domains that carry their own functions while keeping their structural properties. It is supposed that such domains, when taken out of the context of the whole protein, can retain their original structure and function to a certain extent. Information on the specific functional and structural characteristics of individual domains in a new context of artificial fusion proteins may help to reveal the rules of internal and external domain communication. Moreover, this could also help explain the mechanism of such communication and address how the mutual allosteric effect plays a role in a such multi‐domain protein system. The simple model system of the two‐domain fusion protein investigated in this work consisted of a well‐folded PDZ3 domain and an artificially designed small protein domain called Tryptophan Cage (TrpCage). Two fusion proteins with swapped domain order were designed to study their structural and functional features as well as their biophysical properties. The proteins composed of PDZ3 and TrpCage, both identical in amino acid sequence but different in composition (PDZ3‐TrpCage, TrpCage‐PDZ3), were studied using circualr dichroism (CD) spectrometry, analytical ultracentrifugation, and molecular dynamic simulations. The biophysical analysis uncovered different structural and denaturation properties of both studied proteins, revealing their different unfolding pathways and dynamics.
Antioxidant Efficacy of Natural Ubiquinol Compared to Synthetic References – In Vitro Study
Authors: Ácsová Aneta , Hojerová Jarmila , Tobolková Blanka , Martiniaková Silvia 
Published: May 2021

AbstractThere are many studies dealing with the oxidized form (Ubiquinone) of coenzyme Q10, but only a little of its reduced form (Ubiquinol). Two yeast‐based Ubiquinols (UQH2_S, Sigma‐Aldrich; UQH2_K, Kaneka) were investigated for in vitro antioxidant efficacy compared to synthetic antioxidants. The antioxidant efficacy of UQH2_S and UQH2_K by the 2,2‐diphenyl‐1‐picrylhydrazyl’ (DPPH) assay as well as by the 2,2’‐azino‐bis(3‐ethylbenzthiazoline‐6‐sulfonic) acid’ (ABTS) assay was almost identical (IC50DPPH/ABTS 0.387/0.226–0.219 mM, respectively). The values were higher (p<0.05) than that of α‐tocopherol, Gallic acid, Butylhydroxyanisole, Butylhydroxytoluene. Ferric Reducing Antioxidant Power’ values for Ubiquinols (0.05–0.3 mM) were higher (p<0.05) than for the other antioxidants, except Gallic acid. According to the Electron paramagnetic resonance assay, the antioxidant activity of α‐tocopherol/UQH2_S mixture was higher compared to the individual antioxidant only in specific combinations.
Nanoscaled Fe‐MIL‐88NH2 as a Turn‐On Platform for Detecting and Bioimaging Cysteine
Authors: Gao Ce , Zhang Qijia , Ma Liping , Song P. , Xia L. X. 
Published: May 2021

AbstractCysteine (Cys) is an amino acid found in the body that exerts a good antioxidant effect. Sensitive detection of Cys has far‐reaching significance both in the cosmetics industry and biochemical reports. This paper showed that Fe‐MIL‐88NH2. Fe‐MIL‐88NH2 particles were prepared using solvothermal synthesis and their structure was determined using powder X‐ray diffraction, FT‐IR, electron microscopy, as well as N2 adsorption‐desorption measurements. Because of the large channels present in the frame, Fe‐MIL‐88NH2 quickly removed hazardous cationic dyes from water within several minutes. Luminescence tests showed Fe‐MIL‐88NH2 selected Cys featuring great sensitivity in the water, with a detection limit of 5.33 μM. A CCK8 experiment found that Fe‐MIL‐88NH2 had low cytotoxicity. Additionally, the constructed fluorescent platform was used as one signaling tool in monitoring Cys for detecting exo/endogenous Cys in A549 cells.
Enhanced Photocatalytic Performance of NiS2/g‐C3N4/SnS2 by Improving the Charge Diffusion on Both Valence Band and Conduction Band of Carbon Nitride
Authors: Li Shengfu , Liu Wei , Zhao Siwei , Li Yi , Chen Kun 
Published: May 2021

AbstractHerein, a novel Z‐scheme heterojunction of nickel disulfide (NiS2)/graphitic carbon nitride (g‐C3N4)/(tin disulphide) SnS2 has been successfully prepared by a simple one‐step hydrothermal method. Compared to the pristine g‐C3N4, a considerable enhancement on the photocatalytic activity of the heterojunction for the photodegradation of methyl orange was obtained, which is attributed to the promoted separation and transfer of the photo‐induced exciton due to the formation of Z‐scheme mechanism in NiS2/g‐C3N4/SnS2 composites. In particular, the composite of 1 %‐NiS2/g‐C3N4/SnS2 shows the highest apparent quasi‐first‐order rate constant of 0.0633 min−1 for the photodegradation of methyl orange, which is 6.96 times and 2.50 times as large as that of the pristine g‐C3N4 and 5 %‐SnS2/g‐C3N4, respectively.
Unveiling the Chemo‐ and Regioselectivity of the [3+2] Cycloaddition Reaction between 4‐Chlorobenzonitrile Oxide and β‐Aminocinnamonitrile with a MEDT Perspective**
Authors: Domingo Luis R , Acharjee Nivedita 
Published: May 2021

AbstractA molecular electron density theory (MEDT) study for the [3+2] cycloaddition (32CA) reaction of 4‐chlorobenzonitrile oxide (CBNO) and β‐aminocinnamonitrile (ACN) has been performed at the MPWB1K/6‐311G(d,p) computational level. This 32CA reaction, characterised as the zwitterionic type (zw‐type), presents an activation enthalpy of 11.8, 14.2 and 16.6 kcal mol−1, in gas phase, benzene and methanol. The formation of 3‐aryl‐5‐(β‐aminostyryl)‐1,2,4‐oxadiazole is predicted as the energetically feasible one following a non‐concertedtwo‐stage one‐stepmechanism. Thiszw‐type32CA reaction shows a total chemo and regioselectivity. The global electron density transfer at the most favourable transition state structure (TS), higher than 0.14 e, suggests some polar character. The most energetically favoured TS shows an intramolecular hydrogen bond between the amine −NH2of ACN and the oxygen of CBNO, which favours thiszw‐type32CA reaction. This behaviour is enhanced with the inclusion of a methanol molecule hydrogen bonded to this oxygen atom. The present MEDT study suggests that the best experimental conditions are to use a non‐polar solvent such as benzene containing catalytic amounts of a protic solvent such as methanol.