bluuebunny/crossref_metadata_2025 huggingface dataset:
Enzymatic Beacons for Specific Sensing of Dilute Nucleic Acid**
Authors: Zhang Xiaoyu , Kotikam Venubabu , Rozners Eriks , Callahan Brian P.
Published: December 2021

Enzymatic beacons, or E‐beacons, are 1 : 1 bioconjugates of the nanoluciferase enzyme linked covalently at its C‐terminus to hairpin forming ssDNA equipped with a dark quencher. We prepared E‐beacons biocatalytically using HhC, the promiscuous Hedgehog C‐terminal protein‐cholesterol ligase. HhC attached nanoluciferase site‐specifically to mono‐sterylated hairpin oligonucleotides, called steramers. Three E‐beacon dark quenchers were evaluated: Iowa Black, Onyx‐A, and dabcyl. Each quencher enabled sensitive, sequence‐specific nucleic acid detection through enhanced E‐beacon bioluminescence upon target hybridization. We assembled prototype dabcyl‐quenched E‐beacons specific for SARS‐CoV‐2. Targeting the E484 codon of the virus Spike protein, E‐beacons (80×10−12 M) reported wild‐type SARS‐CoV‐2 nucleic acid at ≥1×10−9 M by increased bioluminescence of 8‐fold. E‐beacon prepared for the SARS‐CoV‐2 E484K variant functioned with similar sensitivity. Both E‐beacons could discriminate their target from the E484Q mutation of the SARS‐CoV‐2 Kappa variant. Along with mismatch specificity, E‐beacons are two to three orders of magnitude more sensitive than synthetic molecular beacons.
Highly Efficient Oxygen‐Modulated Ru‐Based HER Electrocatalyst in a Wide pH Range
Authors: Jiang Yong , Qin Youcheng , Luo Wei , Liu Hao , Shen Wei , Jiang Yimin , Li Ming , He Rongxing
Published: December 2021

Crystallized Ruthenium (Ru) metal with high hydrogen production activity is extremely unstable. Herein, we report an efficient and durable hydrogen evolution reaction (HER) electrocatalyst Ru‐MC (mesoporous carbon) synthesized by a special method, in which Ru3+ is added after the formation of spherical MC, leading to only a small amount of Ru being embedded and the vast majority being evenly distributed on the MC surface. The dispersed Ru nanoparticles not only prevent them from aggregation to greatly improve their stability (both over 160 hours in acidic and alkaline solutions), but also provide outstanding intrinsic catalytic activity because oxygen regulates the electronic structure of Ru nanoparticles. The as‐synthesized catalyst only needs an overpotential of 27 and 40 mV to deliver 10 mA cm−2 in 1.0 M KOH and 0.5 M H2SO4. The present work provides guidance for the design of efficient and stable Ru‐based HER electrocatalysts used in a wide pH range.
Z‐Scheme In2S3/NU‐1000 Heterojunction for Boosting Photo‐Oxidation of Sulfide into Sulfoxide under Ambient Conditions
Authors: Wang Lianlian , Shen Dalong , Zhang Heyao , Mo Bingyan , Wu Jie , Hou Hongwei
Published: December 2021

Photocatalytic oxidation of sulfide into sulfoxide has attracted extensive attention as an environmentally friendly strategy for chemical transformations or toxic chemicals degradation. Herein, we construct a series of In2S3/NU‐1000 heterojunction photocatalysts, which can efficiently catalyze the oxidation of sulfides to form sulfoxides as the sole product under LED lamp (full‐spectrum) illumination in air at room temperature. Especially, the sulfur mustard simulant, 2‐chloroethyl ethyl sulfide (CEES), can also be photocatalytically oxidized with In2S3/NU‐1000 to afford nontoxic 2‐chloroethyl ethyl sulfoxide (CEESO) selectively and effectively. In contrast, individual NU‐1000 and In2S3 show very low catalytic activity on this reaction. The significantly improved photocatalytic activity is ascribed to the constructing of an efficient Z‐scheme photocatalysts In2S3/NU‐1000, which exhibits the enhancement of light harvesting, the promotion of photogenerated electron‐hole separation, and the retention of high porosity of the parent MOF. Moreover, mechanism studies in photocatalytic oxidation reveal that the superoxide radical (.O2−) and singlet oxygen (1O2) are the main oxidative species in the oxidation system. This work exploits the opportunities for the construction of porous Z‐scheme photocatalysts based on the photoactive MOFs materials and inorganic semiconductors for promoting catalytic organic transformations. More importantly, it provides a route to the rational design of efficient photocatalysts for the detoxification of mustard gas.
Characterizing Enzyme Cooperativity with Imaging SAMDI‐MS
Authors: Grant Jennifer , Kimmel Blaise R. , Szymczak Lindsey C. , Roll Juliet , Mrksich Milan
Published: December 2021

This paper describes a method that combines a microfluidic device and self‐assembled monolayers for matrix‐assisted laser desorption/ionization mass spectrometry (SAMDI) mass spectrometry to calculate the cooperativity in binding of calcium ions to peptidylarginine deiminase type 2 (PAD2). This example uses only 120 μL of enzyme solution and three fluidic inputs. This microfluidic device incorporates a self‐assembled monolayer that is functionalized with a peptide substrate for PAD2. The enzyme and different concentrations of calcium ions are flowed through each of eight channels, where the position along the channel corresponds to reaction time and position across the channel corresponds to the concentration of Ca2+. Imaging SAMDI (iSAMDI) is then used to determine the yield for the enzyme reaction at each 200 μm pixel on the monolayer, providing a time course for the reactions. Analysis of the peptide conversion as a function of position and time gives the degree of cooperativity (n) and the concentration of ligand required for half maximal activity (K0.5) for the Ca2+ – dependent activation of PAD2. This work establishes a high‐throughput and label‐free method for studying enzyme‐ligand binding interactions and widens the applicability of microfluidics and matrix‐assisted laser desorption/ionization mass spectrometry (MALDI) imaging mass spectrometry.
Injectable Micromotor@Hydrogel System for Antibacterial Therapy
Authors: Yang Sicheng , Ren Jiaoyu , Wang Hong
Published: December 2021

The 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

Miniature 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

A 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

Although 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

Modern 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

A 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

A 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

High‐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

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

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

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

Objective

Satisfaction 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.

Method

We 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.

Results

An 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).

Conclusion

Improving 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

The 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

A 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

Objective

To determine the prevalence of second‐trimester safe abortion care and to examine its association with emotional factors.

Methods

We 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.

Results

The 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).

Conclusion

Sixty‐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.
Role of BAG3 in bovine Deltapapillomavirus‐mediated autophagy
Authors: Roperto Sante
Published: December 2021

Bovine Deltapapillomavirus genus (δPV), comprises four members that are highly pathogenic and are frequently associated with bladder tumors of adult cattle and water buffaloes. In particular, bovine δPV‐2 and δPV‐13 are commonly found in urinary bladder tumors in adult large ruminants reared fully or partially on hilly/mountain pasturelands rich in bracken fern (Pteridium spp.) as the urinary bladder of the herbivores is the specific target for bracken genotoxins such as ptaquiloside (PT). PT is a sesquiterpenoid responsible for alkylation of adenine of codon 61 of gene H‐Ras, which results in Glutamine 61 substitution that is essential for guanosine triphosphate (GTP) hydrolysis. Glutamine substitution at position 61 impairs the intrinsic GTPase activity. Therefore, active GTP‐bound conformations (Ras‐GTP) accumulate in cells, thereby causing abnormal cell proliferation and differentiation. The aim of the present study is to stress how bovine δPVs upregulate different forms of selective autophagy, of which BAG3 is a key player. BAG3 plays a central role in autophagy and acts as a multifunctional hub for an interaction network at the cytosolic and mitochondrial level. BAG3 is a functional partner of bovine δPV E5 oncoprotein and forms a complex with molecular chaperones Hsc70/Hsp70/Hsp8B and with cochaperone CHIP. BAG3 interacts with Synpo2. It is believed that this interaction has a crucial role for autophagosome (mitophagosome) formation. Furthermore, in urothelial cells infected by bovine δPVs, BAG3 interacts with parkin and some receptors such as BNIP3/FUNDC1, which suggests that BAG3 is involved in both parkin‐dependent and ‐independent mitophagy that appear upregulate in bladder carcinogenesis of cattle induced by bovine δPVs. Surprisingly, BAG3 interacts also with ERAS, a protein encoded by the ERas gene, a novel member of the RAS family. Unlike in humans, the ERas gene is a functional gene in the cells of adult cattle, and it appears to play a role in bovine BAG3‐mediated selective autophagy, including mitophagy observed in urothelial cells spontaneously infected with bovine papillomavirus.
A pronounce approach on the catalytic performance of mesoporous natural silica toward esterification of acetic acid with iso‐amyl, benzyl, and cinnamyl alcohols
Authors: Said Abd El‐Aziz A. , Abd El‐Wahab Mohamed M. M. , El‐Gamal Nadia O. , Goda Mohamed N.
Published: December 2021

Catalytic esterification of acetic acid with iso‐amyl, benzyl, and cinnamyl alcohols in the liquid phase over unmodified natural silica catalyst has been studied. The virgin and calcined catalysts were characterized by thermal analyses (Thermogravimetry (TG) and diffrential thermal analysis (DTA)), X‐ray diffraction (XRD), X‐ray fluorescence (XRF), Fourier transform infrared (FTIR), scanning electron microscope (SEM), and N2 sorption analyses. The acidity of natural silica catalysts was investigated using isopropyl alcohol dehydration and chemisorption of pyridine and dimethyl pyridine. The results indicated that most of the acidic sites are of Brϕnsted type and of intermediate strength. The effect of different parameters such as reaction time, molar ratio, catalyst dosage, and calcination temperature was studied. Natural silica catalyst exhibited excellent catalytic performance with a selectivity of 100% to acetate esters formation. The maximum yields of isoamyl, benzyl, and cinnamyl acetate esters obtained in the batch conditions were 80, 81, and 83%, respectively. Whereas on adopting a simple distillation technique, these yields were successfully improved to higher values of 97, 98, and 90%, respectively. Experimental results manifested that the reaction followed Langmuir–Hinshelwood mechanism. Finally, the catalyst could be completely recycled without loss of its activity after four cycles of the esterification reactions.
Biocompatibility of mesoporous SBA‐16/hydroxyapatite nanocomposite and dentin demineralized particles on human dental pulp stem cells
Authors: Bulajić Dragica V. , Drljača Jovana , Čapo Ivan , Savić Slavica M. , Vojisavljević Katarina , Hodžić Aden , Sekulić Slobodan , Bajkin Branislav V.
Published: December 2021

In the present work, a biomaterial (SBA‐16/HA) based on the growth of hydroxyapatite (HA) particles within an organized silica structure SBA‐16 (Santa Barbara Amorphous‐16) was developed to evaluate its application to act as a porous microenvironment promoting attachment and viability of human dental pulp stem cells of healthy deciduous teeth (SHED). First, SHED were isolated and their phenotypes were evaluated by flow cytometry. The samples of SBA‐16/HA were characterized by X‐ray diffraction (XRD), small and wide angle X‐ray scattering (SWAXS), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM) equipped with energy dispersive spectra detector (EDS). Afterward, cells were cultured in the eluates of the above‐mentioned biomaterial aged for 24 hr, 7. and 14 days. Bio‐Oss® and dentin particles are involved for comparison and cells are cultured in the eluates of these two materials also. Thiazolyl Blue Tetrazolium bromide assay‐MTT (3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐Diphenyltetrazolium Bromide assay) was used for the determination of cell viability. The results obtained by all aforementioned characterization methods of SBA‐16/HA, revealed a uniform spherical mesoporous structure, an intrinsic characteristic of this material. This material displayed excellent biocompatibility on SHEDs, and even proliferative potential, indicating that SBA‐16/HA could potentially serve as a suitable substrate for bone regeneration. Contrary to SBA‐16/HA, dentin particles showed low cytotoxicity at all time points, compared to control and Bio‐Oss®groups. Our results substantiate the idea that SBA‐16/HA has a beneficial effect on SHEDs, thus paving the way toward developing new material for bone replacement.
Specific innate immune cells uptake fetal antigen and display homeostatic phenotypes in the maternal circulation
Authors: Arenas-Hernandez Marcia , Romero Roberto , Gershater Meyer , Tao Li , Xu Yi , Garcia-Flores Valeria , Pusod Errile , Miller Derek , Galaz Jose , Motomura Kenichiro , Schwenkel George , Para Robert , Gomez-Lopez Nardhy
Published: December 2021

Pregnancy represents a period when the mother undergoes significant immunological changes to promote tolerance of the fetal semi-allograft. Such tolerance results from the exposure of the maternal immune system to fetal antigens (Ags), a process that has been widely investigated at the maternal-fetal interface and in the adjacent draining lymph nodes. However, the peripheral mechanisms of maternal-fetal crosstalk are poorly understood. Herein, we hypothesized that specific innate immune cells interact with fetal Ags in the maternal circulation. To test this hypothesis, a mouse model was utilized in which transgenic male mice expressing the chicken ovalbumin (OVA) Ag under the beta-actin promoter were allogeneically mated with wild-type females to allow for tracking of the fetal Ag. Fetal Ag-carrying Ly6G+ and F4/80+ cells were identified in the maternal circulation, where they were more abundant in the second half of pregnancy. Such innate immune cells displayed unique phenotypes: while Ly6G+ cells expressed high levels of MHC-II and CD80 together with low levels of pro-inflammatory cytokines, F4/80+ cells up-regulated the expression of CD86 as well as the anti-inflammatory cytokines IL-10 and TGF-β. In vitro studies using allogeneic GFP+ placental particles revealed that maternal peripheral Ly6G+ and F4/80+ cells phagocytose fetal Ags in mid and late murine pregnancy. Importantly, cytotrophoblast-derived particles were also engulfed in vitro by CD15+ and CD14+ cells from women in the second and third trimester, providing translational evidence that this process also occurs in humans. Collectively, this study demonstrates novel interactions between specific maternal circulating innate immune cells and fetal Ags, thereby shedding light on the systemic mechanisms of maternal-fetal crosstalk.
Introducing a New Biomarker Named R2*‐BOLD‐MRI Parameter to Assess Treatment Response in Osteosarcoma
Authors: Kim Chu Hyun , Lee Ji Hyun , Lee Ji Won , Kim Eunju , Choi Sang‐Hee
Published: December 2021

Background

While histologic response to neoadjuvant chemotherapy (NChT) is the major prognostic factor for osteosarcoma treatment, evaluating that response is difficult.

Purpose

To evaluate the feasibility of the blood oxygen level‐dependent (BOLD) technique to assess the response to NChT.

Study Type

Prospective.

Population

Twelve patients with osteosarcoma undergoing NChT.

Field Strength/Sequence

3 T; T2*‐weighted BOLD, dynamic contrast‐enhanced (DCE) and diffusion‐weighted (DW) (b values of 0, 400, and 1400 seconds/mm2) sequences.

Assessment

Examination was performed before treatment (first), after each cycle of treatment (second and third). At each time point, spin dephasing rates (R2*) from BOLD magnetic resonance imaging (MRI), parameters from DCE‐MRI (volume transfer constant [Ktrans], reflux rate [kep], volume fraction of the extravascular extracellular matrix [ve], and blood plasma volume [vp]), and the apparent diffusion coefficient (ADC) from DW‐MRI were measured.

Statistical Tests

Wilcoxon's signed rank test, Spearman's correlation coefficient (ρ) were used. A P‐value of <0.05 was considered statistically significant.

Results

The difference and relative difference of the R2* values between the first/third MRIs in the extraosseous portion were statistically significant. Only the differences in the kep values between the first/second and between the first/third MRIs in the extraosseous portion were significant. The differences in the ADCs in the extraosseous and osseous portions were not statistically significant (P = 0.151, P = 0.733 each in extraosseous portion and P = 0.569, P = 0.129 each in osseous portion). The relative difference in R2* values in the extraosseous portion between the first/third MRI (ρ = 0.706) was significantly better correlated with the pathologic grade than those of kep and ADC over the same period (ρ = 0.286 and ρ = −0.091, respectively).

Data Conclusion

The R2* from the BOLD MRI technique could be a useful biomarker for evaluating treatment response in osteosarcoma treated with NchT.

Level of Evidence

5

Technical Efficacy

Stage 2
Quantifying uncertainty in multivariate quantile estimation of hydrometeorological extremes via copula: A comparison between bootstrapping and Markov chain Monte Carlo
Authors: Yang Pan , Ng Tze Ling
Published: December 2021

The performance of uncertainty estimation methods, namely bootstrapping and Markov chain Monte Carlo (MCMC), in univariate frequency analysis of hydrometeorological extremes has been well tested in the literature. However, the two methods have not been thoroughly compared for multivariate frequency analysis of such events. In this study, we compare the performance of bootstrapping and MCMC in estimating the uncertainty of bivariate quantiles of extremes as defined by the return period quantiles of hydrologic drought duration and severity, and concurrent meteorological drought and heat wave. Using a copula framework, we analyse the accuracy and size of confidence intervals of the bivariate quantiles, and bias in point estimates of them. We also investigate the performance of the two methods in estimating the uncertainty of univariate quantiles of the marginal distributions of the resulting bivariate copulas. This is to evaluate if any advantage of one method over the other is consistent, whether in estimating the univariate or bivariate quantiles. We conduct this study with synthetic datasets of various sample sizes and predefined distributions derived from a set of empirical data. The results show MCMC to be superior when estimating the uncertainty of bivariate quantiles where the sample size is small (~50). Where the sample size is large (~100 and ~200), the results show bootstrapping to be the better option for estimating uncertainties of bivariate quantiles. For estimating uncertainties of univariate quantiles, bootstrapping is performing better under all investigated sample sizes. Results and conclusions in this study will be beneficial for hydrometeorological risk assessment, hydrologic infrastructure design, and water resources assessment.
Untargeted rapid differentiation and targeted growth tracking of fungal contamination in rice grains based on headspace‐gas chromatography‐ion mobility spectrometry
Authors: Gu Shuang , Wang Zhenhe , Wang Jun
Published: December 2021

BACKGROUND

Milled rice are prone to be contaminated with spoilage or toxigenic fungi during storage, which may pose a real threat to human health. Most traditional methods require long periods of time for enumeration and quantification. However, headspace‐gas chromatography‐ion mobility spectrometry (HS‐GC‐IMS) technology could characterize the complex volatile organic compounds (VOCs) released from samples in a non‐destructive and environmentally friendly manner. Thus, this study described an innovative HS‐GC‐IMS strategy for analyzing VOC profiles to detect fungal contamination in milled rice.

RESULTS

A total of 24 typical target compounds were identified. Analysis of variance‐partial least squares regression (APLSR) showed significant correlations between the target compounds and colony counts of fungi. While the changes of selected volatile components (acetic acid, 3‐hydroxy‐2‐butanone and oct‐en‐3‐ol) in fungi‐inoculated rice had sufficiently high positive correlations with the colony counts, the logistic model could effectively be used to monitor the growth of individual fungus (R2 = 0.902–0.980). PLSR could effectively be used to predict fungal colony counts in rice samples (R2 = 0.831–0.953), and the different fungi‐inoculated rice samples at 24 h could be successfully distinguished by support vector machine (SVM) (94.6%). The ability of HS‐GC‐IMS to monitor fungal infection would help to prevent contaminated rice grains from entering the food chain.

CONCLUSIONS

This result indicated that HS‐GC‐IMS three‐dimensional fingerprints may be appropriate for the early detection of fungal infection in rice grains. © 2021 Society of Chemical Industry.
Sex, racial/ethnic and socioeconomic disparities in patients with metastatic bone disease
Authors: Jawad Muhammad Umar , Pollock Brad H. , Wise Barton L. , Zeitlinger Lauren N. , O’ Donnell Edmond F. , Carr‐Ascher Janai R. , Cizik Amy , Ferrell Betty , Thorpe Steven W. , Randall R. Lor
Published: December 2021

Background

We have analyzed sex, race/ethnicity or socioeconomic disparities in the incidence of metastatic bone disease (MBD).

Methods

Patients with the diagnosis of MBD at presentation for five most common primary anatomical sites was extracted from Surveillance, Epidemiology, and End Results Census tract–level dataset. Mean incidence of MBD for different sex, racial/ethnic and socioeconomic groups were compared.

Results

The five most common anatomical sites with MBD at presentation include “lung: (n = 59 739), “prostate” (n = 19 732), “breast” (n = 16 244), “renal” (n = 7718) and “colon” (n = 3068). There was an increase in incidence of MBD among cancers originating from prostate (annual percentage change [APC] 4.94), renal (APC 2.55), and colon (APC 3.21) (p < 0.05 for all). Non‐Hispanic Blacks had higher incidence of MBD for prostate and breast primary sites (p < 0.001). Non‐Hispanic American Indian Alaskan Native had higher incidence of MBD for cancers originating from renal (p < 0.001) and colon (p = 0.049). A higher incidence of MBD was seen in lower socioeconomic status (SES) groups for the selected sites (p < 0.001).

Conclusions

These findings suggest that there are multiple sex‐related, racial/ethnic and SES disparities in the incidence of MBD from the 5 most common primary sites. Higher incidence seen among lower SES suggests delay in diagnosis and limited access to screening modalities.
Analysis of port‐wine birthmark vascular characteristics by location: Utility of optical coherence tomography mapping
Authors: Wang Jordan V. , Mehrabi Joseph N. , Abrouk Michael , Pomerantz Hyemin , Palma Anton M. , Zachary Christopher B. , Waibel Jill S. , Kelly Kristen M. , Geronemus Roy G.
Published: December 2021

Introduction

Port‐wine birthmarks (PWBs) are congenital capillary malformations that can be located on any area of the body. Vascular features include vessel size, depth, and density, which can greatly differ between patients, individual lesions, and even sites within the same lesion. Previous studies have determined that the location of PWB lesions has impacted their clinical response to laser treatment.

Objective

We utilized dynamic optical coherence tomography (D‐OCT) to measure in vivo vessel diameter, density, and superficial plexus depth in patients of all ages with PWB on various sites of the body. We hypothesized that these vascular characteristics would differ according to body location.

Materials and Methods

Patients who had a PWB and presented to clinic at three sites for treatment with the pulsed dye laser (PDL) were enrolled into the study. A D‐OCT scanner was utilized for noninvasive, in vivo imaging of PWB lesions. The depth of the top portion of the superficial vascular plexus was estimated as the depth at which the vessel density reaches 50% of the maximum. Vessel diameter and density were calculated by incorporated software algorithm.

Results

A total of 108 patients were enrolled into the study. There was a total of 204 measurements of PWB lesions. Of all patients, 56.5% (n = 61) reported having a previous treatment with PDL. Of all D‐OCT scans, 62.3% (n = 127) were located on the head, 14.2% (n = 29) the upper extremities, 8.3% (n = 17) the lower extremities, 7.8% (n = 16) the trunk, and 7.8% (n = 15) the neck. All locations were compared for each vascular characteristic. For superficial plexus depth, lesions on the head were significantly shallower than those on the upper extremities (217 vs. 284 µm; p < 0.001) and lower extremities (217 vs. 309 µm; p < 0.001). For vessel diameter, lesions on the head had significantly larger vessels than those on the upper extremities (100 vs. 72 µm; p = 0.001). For vessel density, lesions on the head had significantly denser vessels than those on the trunk (19% vs. 9.6%; p = 0.039) and upper extremities (19% vs. 9.3%; p < 0.001)

Conclusions

PWB lesions have distinct vascular characteristics, which can be associated with their body location. This includes superficial vascular plexus depth as well as vessel diameter and density.
Diffusivity of Multicomponent Gas Mixtures in Polyethylene
Authors: Ben Mrad Amel , Sheibat‐Othman Nida , Valaei Sina , Bartke Michael , McKenna Timothy F. L.
Published: December 2021

A study of the multicomponent diffusion of important processes gases in linear low density polyethylene is presented. It is demonstrated that, much like in the case of multicomponent solubilities, one cannot use pure component diffusivities to predict mass transfer rates in multicomponent systems. It is postulated that interaction between the penetrant species and the polymer modifies the free volume in a concentration‐dependent manner, so it is necessary to consider the gas phase composition when calculating realistic diffusion coefficients. In addition, describing the particle morphology as an assembly of normally distributed characteristic length scales is proposed. This allows one to better fit the experimental data, and is a coherent description of experimentally observed particle morphology.