bluuebunny/crossref_metadata_2025_split huggingface dataset:
Injectable Micromotor@Hydrogel System for Antibacterial Therapy
Authors: Yang Sicheng , Ren Jiaoyu , Wang Hong 
Published: December 2021

AbstractThe drug delivery system based on nano/micromotors has become a research hot spot in recent years. However, naked micromotors may be ruptured or passivated under the complex biological environment, which will result in the leakage of drugs in advance or limited self‐propulsion performance. Herein, an injectable micromotor@hydrogel drug delivery system to protect micromotors from the external environment is proposed. The micromotors were prepared through layer‐by‐layer assembly technology. The asymmetric decomposition of hydrogen peroxide catalyzed by the locally distributed platinum nanoparticles enabled efficient propulsion of the micromotors in low concentration of hydrogen peroxide. In order to protect micromotors, they were loaded into the Schiff base hydrogel. The micromotor@hydrogel system can be injected directly into the lesion to release micromotors in response to the environment, reducing external influence on micromotors and improving the sustained‐release effect. Erythromycin (Ery) loaded into the micromotors and the micromotor@hydrogel system demonstrated excellent antibacterial effect. Micromotors released from the hydrogel underwent enhanced diffusion in the surroundings of bacteria without addition of exogenous hydrogen peroxide, which was manifested by their appearance in edge of the inhibition zone. The proposed micromotor@hydrogel drug delivery system offers a new strategy for the treatment of bacterial infections.
Three‐in‐One: Miniature Models of Natural Acyl‐Transfer Systems Enable Vector‐Selective Reaction on the Primary Side of Cyclodextrins
Authors: Tominaga Tatsuro , Fukuda Koki , Koga Kazutaka , Fukudome Makoto , Yuan De‐Qi 
Published: December 2021

AbstractMiniature models of acyl‐transfer systems in cells, which were composed by replacing the protein, coenzyme, and substrate with CD, functional group, and CD, respectively, and combining them all together in one, displayed definite role‐sharing and exact cooperation of the functional groups and hydrophobic cavity, and thus enabled the regio‐specific reaction.
Iridium‐Catalyzed Domino Hydroformylation/Hydrogenation of Olefins to Alcohols: Synergy of Two Ligands
Authors: Huang Weiheng , Tian Xinxin , Jiao Haijun , Jackstell Ralf , Beller Matthias 
Published: December 2021

AbstractA novel one‐pot iridium‐catalyzed domino hydroxymethylation of olefins, which relies on using two different ligands at the same time, is reported. DFT computation reveals different activities for the individual hydroformylation and hydrogenation steps in the presence of mono‐ and bidentate ligands. Whereas bidentate ligands have higher hydrogenation activity, monodentate ligands show higher hydroformylation activity. Accordingly, a catalyst system is introduced that uses dual ligands in the whole domino process. Control experiments show that the overall selectivity is kinetically controlled. Both computation and experiment explain the function of the two optimized ligands during the domino process.
Ylide‐Stabilized Phosphenium Cations: Impact of the Substitution Pattern on the Coordination Chemistry
Authors: Stalder Tobias , Krischer Felix , Steinert Henning , Neigenfind Philipp , Gessner Viktoria H. 
Published: December 2021

AbstractAlthough N‐heterocyclic phosphenium (NHP) cations have received considerable research interest due to their application in organocatalysis, including asymmetric synthesis, phosphenium cations with other substitution patterns have hardly been explored. Herein, the preparation of a series of ylide‐substituted cations of type [YPR]+ (with Y=Ph3PC(Ph), R=Ph, Cy or Y) and their structural and coordination properties are reported. Although the diylide‐substituted cation forms spontaneous from the chlorophosphine precursor, the monoylidylphosphenium ions required the addition of a halide‐abstraction reagent. The molecular structures of the cations reflected the different degrees of electron donation from the ylide to the phosphorus center depending on the second substituent. Molecular orbital analysis confirmed the stronger donor properties of the ylide systems compared to NHPs with the mono‐ylide substituted cations featuring a more pronounced electrophilicity. This was mirrored by the reaction of the cations towards gold chloride, in which only the diylide‐substituted cation [Y2P]+ formed the expected LAuCl]+ complex, while the monoylide‐substituted compounds reacted to the chlorophosphine ligands by transfer of the chloride from gold to the phosphorus center. These results demonstrate the tunability of ylide‐functionalized phosphorus cations, which should allow for further applications in coordination chemistry in the future.
Quantitative In‐Situ NMR Illumination for Excitation and Kinetic Analysis of Molecular Motor Intermediates
Authors: Wilcken Roland , Gerwien Aaron , Huber Ludwig Alexander , Dube Henry , Riedle Eberhard 
Published: December 2021

AbstractModern synthetic methods can be highly complex and proceed via multiple sequential processes. The intricate concepts can rarely be checked in all necessary detail due to the lack of suitable analysis methods. For photoinitiated reactions the starting point can be chosen to any desired precision by short or ultrafast light pulses. However, the optical analysis is blind to many aspects. Pairing the illumination of the reaction mixture with other online detection schemes proves extremely valuable. Herein we present a combination of variable temperature NMR spectroscopy with in‐situ illumination and photon‐counting to monitor the short‐lived intermediates and gain a comprehensive and quantitative picture of the working of a hemithioindigo‐based molecular motor. Application of the scheme is not limited to the field of molecular machines, we rather think that it will be of great use for any detailed identification and characterization of chemical intermediates in photochemistry, photoredox catalysis, photoswitching, or photoresponsive materials.
The statistical theory of linear selection indices from phenotypic to genomic selection
Authors: Cerón‐Rojas J. Jesus , Crossa Jose 
Published: December 2021

AbstractA linear selection index (LSI) can be a linear combination of phenotypic values, marker scores, and genomic estimated breeding values (GEBVs); phenotypic values and marker scores; or phenotypic values and GEBVs jointly. The main objective of the LSI is to predict the net genetic merit (H), which is a linear combination of unobservable individual traits’ breeding values, weighted by the trait economic values; thus, the target of LSI is not a parameter but rather the unobserved random H values. The LSI can be single‐stage or multi‐stage, where the latter are methods for selecting one or more individual traits available at different times or stages of development in both plants and animals. Likewise, LSIs can be either constrained or unconstrained. A constrained LSI imposes predetermined genetic gain on expected genetic gain per trait and includes the unconstrained LSI as particular cases. The main LSI parameters are the selection response, the expected genetic gain per trait, and its correlation with H. When the population mean is zero, the selection response and expected genetic gain per trait are, respectively, the conditional mean of H and the genotypic values, given the LSI values. The application of LSI theory is rapidly diversifying; however, because LSIs are based on the best linear predictor and on the canonical correlation theory, the LSI theory can be explained in a simple form. We provided a review of the statistical theory of the LSI from phenotypic to genomic selection showing their relationships, advantages, and limitations, which should allow breeders to use the LSI theory confidently in breeding programs.
Silica‐Mediated Monohydrolysis of Dicarboxylic Esters
Authors: Dyker Gerald 
Published: December 2021

AbstractA new method for the monohydrolysis of dicarboxylic esters is presented, involving as key step a silanolysis at elevated temperatures at the silica gel surface. In the second step, the surface bound silyl esters are cleaved off under mild conditions, giving a straightforward and fast access to half esters. Based on recovered starting material generally yields well above 70 % are achieved, both, with stiff aromatic as well as flexible aliphatic substrates, as long as the ester groups involved are remote enough from each other. Otherwise competing reactions are becoming determinative, anhydride formation in the case of phthalates and decarbonylative fragmentation in the case of malonates. The new method was also successfully tested on a multigram scale with a minimalistic apparatus setup.
A conceptual review of sustainable electrical power generation from biogas
Authors: Abanades Stephane , Abbaspour Hossein , Ahmadi Abolfazl , Das Biplab , Ehyaei Mehdi A. , Esmaeilion Farbod , El Haj Assad Mamdouh , Hajilounezhad Taher , Hmida Abir , Rosen Marc A. , Safari Sadegh , Shabi Mohammad A. , Silveira Jose Luz 
Published: December 2021

AbstractHigh‐energy demand with rapid industrialization and mechanization combined with environmental pollution due to the burning of fossil fuels has driven a shift toward renewable energy. Biogas derived from biomass is a potential renewable energy source that can be used in different sectors such as transportation sector, electricity generation, heat production, combined heat and power (CHP) systems, and fuel cells. Moreover, the upgraded biogas can be applied as transportation fuel via an internal combustion chamber (for internal combustion engine (ICE) vehicles), and electricity station (for electric vehicles). In the present work, a conceptual review of biogas‐based electrical power production systems is presented. It is clear that the conventional types of biomass contain a high amount of pollutants and unwanted constituents, which lower the lower heating value (LHV) of biogas fuel. Moreover, the energy and exergy efficiencies of biogas applications are influenced by these components. Consequently, several biogas‐upgrading technologies have been elaborated to increase the LHV of biogas fuel by removing biogas pollutants. So, the energy and exergy analyses of biogas‐driven plants are discussed in this regard. Also, the economic analysis of biogas‐fueled systems is measured through the connection between biogas production, purchased electrical power, and selling of an additional amount of biogas. Biogas represents an important source of renewable energy as shown before, and it helps in waste management and W‐to‐E (waste to energy) conversion, which allows utilizing huge amounts of wastes instead of disposal or landfill procedures. However, handling of biogas from production to utilization has an impact on the environment. Therefore, the assessment of the environmental impacts of biogas plants is presented. In addition, a combination of the biogas energy with other sources, especially renewable energy sources (eg, solar‐biogas, geothermal‐biogas, wind‐biogas, CHP, CCHP, and concentrated photovoltaic‐biogas), and reusing waste energy for other tasks (eg, employing the waste heat from a gas turbine) are examined.
Sensitivity of a Model Reptile, the Common Snapping Turtle (Chelydra serpentina), to In Ovo Exposure to 2,3,7,8-Tetrachlorodibenzo-p-Dioxin and Other Dioxin-Like Chemicals
Authors: Doering Jon A. , Brinkmann Markus , Lucio Maria , Stoeck Serena , Vien Alex , Petersen Stephanie , Rhen Turk , Jones Paul D. , Hecker Markus , Schroeder Anthony 
Published: December 2021

Abstract
Reptiles represent the least-studied group of vertebrates with regards to ecotoxicology and no empirical toxicity data existed for dioxin-like chemicals (DLCs). This lack of toxicity data represents a significant uncertainty in ecological risk assessments of this taxon. Therefore, the present study assessed early-life sensitivity to select DLCs and developed relative potencies in the common snapping turtle (Chelydra serpentina) as a model reptile. Specifically, survival to hatch and incidence of pathologies were assessed in common snapping turtle exposed in ovo to serial concentrations of the prototypical reference congener 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), and three other DLCs of environmental relevance, namely, 2,3,4,7,8-pentachlorodibenzofuran (PeCDF), 2,3,7,8-tetrachlorodibenzofuran (TCDF), and 3,3′,4,4′,5-pentachlorobiphenyl (PCB 126). In ovo exposure to TCDD, PeCDF, TCDF, and PCB 126 caused a dose-dependent increase in early-life mortality, with median lethal doses (LD50s) of 14.9, 11.8, 29.6, and 185.9 pg/g-egg, respectively. Except for abnormal vasculature development, few pathologies were observed. Based on the measured LD50, common snapping turtle is more sensitive to TCDD in ovo than other species of oviparous vertebrates investigated to date. The potencies of PeCDF, TCDF, and PCB 126 relative to TCDD were 1.3, 0.5, and 0.08, respectively. These relative potencies are within an order of magnitude of World Health Organization (WHO) TCDD-equivalency factors (TEFs) for both mammals and birds supporting these TEFs as relevant for assessing ecological risk to reptiles. The great sensitivity to toxicities of the common snapping turtle, and potentially other species of reptiles, suggests a clear need for further investigation into the ecotoxicology of this taxon. Environ Toxicol Chem 2022;41:175–183. © 2021 SETAC
Immunotoxicity of Perfluorooctanoic Acid to the Marine Bivalve Species Ruditapes philippinarum
Authors: Li Fengling , Liu Zhiyu , Yao Lin , Jiang Yanhua , Qu Meng , Yu Yongxing , Gong Xiuqiong , Tan Zhijun , Li Zhaojie 
Published: December 2021

Abstract
Polyfluorinated alkylated substances are recognized as an important class of pollutants in marine environments. Bivalves are good model organisms for evaluating the toxicity of pollutants and monitoring marine environments. In the present study, immunotoxicity of perfluorooctanoic acid (PFOA) was investigated by measuring biomarkers of the immune profile of Ruditapes philippinarum. In bivalves, hemocytes are an important component of the immune system. Thus, hemocyte proliferation, phagocytosis, cell viability, and immune enzyme activities, which have been applied as marine pollution bioindicators, were identified and observed for changes after exposure to PFOA in R. philippinarum. Based on the integrated biomarker responses method, we selected five biomarkers to evaluate PFOA risk at the multibiomarker level. In addition, the histopathological alterations of hemocytes in bivalves were used as indexes of the response to environmental stress. The subcellular structure of the hemocytes in R. philippinarum changed significantly with PFOA exposure, including hemocyte and nucleus morphological changes, organelle dissolution, cytomembrane and karyotheca swelling, and cytoplasm vacuolization. The present study verifies PFOA immunotoxicity to R. philippinarum at different levels and the integrated assessment of stress levels caused by PFOA in marine environment. Our results will provide new insights into evaluating adverse effects of PFOA and monitoring marine ecosystem. Environ Toxicol Chem 2022;41:426–436. © 2021 SETAC
Target and Suspect Screening of Pharmaceuticals and their Transformation Products in the Klip River, South Africa, using Ultra-High–Performance Liquid Chromatography–Mass Spectrometry
Authors: Madikizela Lawrence M. , Nuapia Yannick B. , Chimuka Luke , Ncube Somandla , Etale Anita 
Published: December 2021

Abstract
In spite of recent reports about the presence of pharmaceuticals in African water bodies, their prevalence has still not been sufficiently quantified. The few available studies have mostly focused on a limited number of pharmaceuticals. In the present study, a suspect screening of 92 compounds (mainly pharmaceuticals and their transformation products) along the Klip River, South Africa was conducted, followed by target monitoring of 21 of the detected pharmaceuticals. The experimental approach was based on solid-phase extraction followed by analysis with ultra-high–performance liquid chromatography–quadrupole time-of-flight–mass spectrometry (UHPLC–QTOF–MS). The results revealed 47 pharmaceuticals, 31 of which were detected for the first time in South African waters. Seven detected pharmaceuticals (propyphenazole, sulfamerazine, levamisole, tryptophan, dibucaine, albuterol, and fenpropimorph) are not approved medications in South Africa. Six pharmaceutical metabolites were detected for the first time in South Africa. Pharmaceuticals with the highest concentrations in river water were flumequine (0.257 µg L−1), oxolinic acid (0.355 µg L−1), and acetaminophen (0.432 µg L−1). Oxolinic acid presented the highest hazard quotient, 48.6, indicating a risk of toxicity to aquatic organisms. Hazard quotients for other pharmaceuticals were below 1, except that of flumequine, which reached 1.285. These results suggest a need for further research into the fate of pharmaceuticals in surface waters, and a quantification of the risks associated with the identified drugs because they are likely to accumulate in the tissues of fish/aquatic organisms, thus affecting humans. Environ Toxicol Chem 2022;41:437-447. © 2021 SETAC
Medical disputes and patient satisfaction in China: How does hospital management matter?
Authors: Wang Mengxiao , Liu Gordon Guo‐En , Bloom Nicholas , Zhao Hanqing , Butt Thomas , Gao Tianhao , Xu Jiaqi , Jin Xia 
Published: December 2021

AbstractObjectiveSatisfaction with healthcare may be captured by surveys of patients and staff, or in extreme cases, the number and severity of medical disputes. This study tries to investigate the relationship between satisfaction and hospital management as well as the role of good management in preventing medical disputes ex ante.MethodWe investigate this relationship using information on management practices collected from 510 hospitals in mainland China using the World Management Survey questionnaire and combined with medical malpractice litigation data and patient/staff satisfaction surveys. Multiple regression models were used to analyse the relationship between hospital management scores and medical litigation outcomes as well as patient and staff satisfaction during 2014–2016.ResultsAn increase of one standard deviation in the management score was related to 13.1% (p < 0.10) lower incidence of medical disputes, 12.4% (p < 0.05) fewer medical litigations, and 51.3% (p < 0.10) less compensation. Better management quality of hospitals was associated with higher inpatient satisfaction (p < 0.05) and staff well‐being (p < 0.01).ConclusionImproving hospital management could reduce hospital costs generated by lawsuits, reduce potential harm to patients, and improve patient and staff satisfaction, thus leading to a better patient‐physician relationship.
Channel flow of a Jeffrey fluid in a porous space with entropy generation
Authors: Ramanuja Mani , Krishna Gunduboina G. , Nagaradhika Vatkuru , Sreenadh Sreedharamalle , Mishra Satyaranjan 
Published: December 2021

AbstractThe present investigation reveals the Poiseuille flow of an incompressible Jeffrey fluid involving two heated parallel plates. The nonlinear model is proposed by incorporating Brownian motion vis‐a‐vis, viscous dissipation, and suction/injection, which are also taken into consideration. However, numerical treatment is based on fourth‐order Runge–Kutta shooting integration method and applied for the solution of the system of governing equation. As a novelty, the entropy analysis due to the flow irreversibility of the system is carried out, and also a computational result of the Bejan number is also elaborated. The impacts of various thermo‐physical pertinent specifications such as velocity, temperature are examined thoroughly and interpreted through graphs.
Significance of heat source/sink on the radiative flow of Cross nanofluid across an exponentially stretching surface towards a stagnation point with chemical reaction
Authors: Babu Kasibhotla Satya Srinivasa , Parandhama Areti , Vijaya Rachamalla Bhuvana 
Published: December 2021

AbstractA numerical review on magnetohydrodynamics radiative motion of Cross nanofluid across an exponentially stretchable surface near stagnation point with varying heat source/sink is addressed. Brownian movement and thermophoretic impacts are assumed. The governing equations for this study are first altered as a system of ordinary differential equations by similarity transformation. With an aid of the Runge–Kutta 4th order mechanism together with the shooting procedure, the impacts of several pertinent parameters including chemical reaction on regular profiles (velocity, temperature, and concentration) are explicated. The consequences of the same parameters on surface drag force, transfer rates of heat, and mass are visualized in tables. From the analysis, it was noticed that the magnetic field parameter enhances the temperature and decreases the velocity of the Cross nanofluid. Also, fluid temperature is an increasing function with thermal radiation and nonuniform heat source/sink. The rate of heat transfer is increased with thermophoresis and diminished with Brownian motion. Sherwood's number is diminished with Brownian motion but it was boosted up with thermophoresis. The present results are compared with published results and those are in agreement.
Late request for safe abortion care at a tertiary hospital in Ethiopia; the role of emotional factors: A cross‐sectional study
Authors: Fessehaye Sium Abraham , Lucero‐Prisno Don Eliseo , Wondafrash Mekitie , Tolu Lemi Belay , Asrat Shiferaw Matiyas 
Published: December 2021

AbstractObjectiveTo determine the prevalence of second‐trimester safe abortion care and to examine its association with emotional factors.MethodsWe conducted a cross‐sectional study on second‐trimester safe abortion care clients from June 1, 2020 to December 31, 2020 at St. Paul's Hospital Millennium Medical College. Data were collected using an interviewer‐administered questionnaire on Open Data Kit and analyzed using STATA release 15. Variables with P value <0.2 on bivariate analysis were entered for multivariable regression analysis. Odds ratio with 95%CI and P value below 0.05 were used to present the significance of study findings.ResultsThe prevalence of induced second‐trimester abortion among safe abortion clients was 64%. Women who had no emotional factors, who had no interpersonal problems, who were married, and who had middle or high incomes were less likely to make a late request for safe abortion care (aOR 0.31, 95% CI 0.15–0.67; aOR 0.55, 95% CI 0.32–0.97; aOR 0.37, 95% CI 0.17–0.77; and aOR 0.51, 95% CI 0.27–0.96, respectively).ConclusionSixty‐four percent of safe abortion‐care clients made a late request (second trimester presentation) for safe abortion care. Women who had no emotional factors had a low risk of making such a late request. Likewise, married women who had no interpersonal factors and had middle or high income were at low risk of seeking safe abortion care in the second trimester.