bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sex-Related Embryotoxicity of Pulp Mill Effluent Extracts in Medaka (Oryzias latipes) Female Leucophore-free FLFII Strain
Authors: Orrego Rodrigo , Guchardi John , Beyger Lindsay , Barra Ricardo , Hewitt L. Mark , Holdway Douglas 
Published: May 2021

Abstract
The aim of the present study was to evaluate the effects of exposure to Chilean pulp mill effluent extracts on developing postfertilized medaka embryos before and after sex definition relative to sex steroids (testosterone and 17beta-estradiol) and a wood phytoestrogen (beta-sitosterol). Our study included 2 waterborne semichronic exposure experiments, using a 24-h post fertilization (hpf) unknown-sex FLFII (female leucophore free) group and a second 72-hpf FLFII phenotypic sex-identified group (male autofluorescence leucophore) strain of medaka embryos. Chronic exposure of both FLFII strain embryo groups showed similar delay in time to hatch and decreased hatchability. Teratogenic responses such as vertebral malformation (fusion, incomplete formation, and lack of vertebral formation process) and pericardial edema were observed in both experiments, with a high percentage related to FLFII fluorescent leucophore–identified males. In addition, high mortality associated with severe malformations was observed in male and female embryos exposed to testosterone. Our research has demonstrated that exposure to Chilean mill effluent extracts caused severe male medaka embryotoxicity (in postfertilized embryos) before and after sex definition and, irrespective of the experimental group and effluent treatment, suggests partial removal following secondary treatment. Furthermore, differences in the severity and type of teratogenic effects with previous experiments (d-rR medaka strain), are associated with the unique phenotypes of this medaka mutant strain. Environ Toxicol Chem 2021;40:2297–2305. © 2021 SETAC
Resting‐state functional connectivity of the human hippocampus in periadolescent children: Associations with age and memory performance
Authors: Warren David E. , Rangel Anthony J. , Christopher‐Hayes Nicholas J. , Eastman Jacob A. , Frenzel Michaela R. , Stephen Julia M. , Calhoun Vince D. , Wang Yu‐Ping , Wilson Tony W. 
Published: May 2021

AbstractThe hippocampus is necessary for declarative (relational) memory, and the ability to form hippocampal‐dependent memories develops through late adolescence. This developmental trajectory of hippocampal‐dependent memory could reflect maturation of intrinsic functional brain networks, but resting‐state functional connectivity (rs‐FC) of the human hippocampus is not well‐characterized for periadolescent children. Measuring hippocampal rs‐FC in periadolescence would thus fill a gap, and testing covariance of hippocampal rs‐FC with age and memory could inform theories of cognitive development. Here, we studied hippocampal rs‐FC in a cross‐sectional sample of healthy children (N = 96; 59 F; age 9–15 years) using a seed‐based approach, and linked these data with NIH Toolbox measures, the Picture‐Sequence Memory Test (PSMT) and the List Sorting Working Memory Test (LSWMT). The PSMT was expected to rely more on hippocampal‐dependent memory than the LSWMT. We observed hippocampal rs‐FC with an extensive brain network including temporal, parietal, and frontal regions. This pattern was consistent with prior work measuring hippocampal rs‐FC in younger and older samples. We also observed novel, regionally specific variation in hippocampal rs‐FC with age and hippocampal‐dependent memory but not working memory. Evidence consistent with these findings was observed in a second, validation dataset of similar‐age healthy children drawn from the Philadelphia Neurodevelopment Cohort. Further, a cross‐dataset analysis suggested generalizable properties of hippocampal rs‐FC and covariance with age and memory. Our findings connect prior work by describing hippocampal rs‐FC and covariance with age and memory in typically developing periadolescent children, and our observations suggest a developmental trajectory for brain networks that support hippocampal‐dependent memory.
A semi‐empirical wind set‐up forecasting model for Lake Champlain
Authors: Loiselle Guillaume , Martel Jean‐Luc , Poulin Annie , Lachance‐Cloutier Simon , Turcotte Richard , Fournier Judith , Mai Juliane , Arsenault Richard 
Published: May 2021

AbstractThe precision of Lake Champlain's water level estimation is a key component in the flood forecasting process for the Richelieu River. Hydrological models do not typically take into consideration the effects of the wind on the water level (also known as the wind set‐up). The objective of this study is to create an empirical wind set‐up forecast model for Lake Champlain during high wind events. The proposed model uses wind speed and direction across the Lake, as well as wind gusts as inputs. The model is calibrated to a subset of observations and evaluated on an independent sample, considering four wind speed bins. It is tested and compared to a variant of the Zuider Zee equation on 20 wind set‐up events that occurred between 2017 and 2019 using hindcast data from five different numerical weather prediction systems (GDPS, RDPS, HRDPS, NOAA and ECMWF). A quantile mapping‐based forecast calibration scheme is implemented for each of the forecast products to correct their biases. Results show that events are successfully predicted by the proposed model at least 72 h in advance. These results are better than the other comparative models found in the literature and tested herein. Overall, significant improvements are obtained by including wind speed and wind gusts from different weather stations.
The Extended Eighth‐Shell method for periodic boundary conditions with rotational symmetry
Authors: Prasad Samarjeet , Simmonett Andrew C. , Meana‐Pañeda Rubén , Brooks Bernard R. 
Published: May 2021

AbstractThe Eighth‐Shell method for parallelization of molecular dynamics simulations has previously been shown to be the most optimal for efficiency at large process counts. However, in its current formulation only the P1 space group is supported for periodic boundary conditions (PBC) and thus reflection and/or rotational crystal symmetries are not supported. In this work, we outline the development and implementation of the Extended Eighth‐Shell (EES) method that allows rotational symmetry by using an extended import region compared to the ES method. It simulates only the asymmetric unit and communicates coordinates and forces with images that correspond to P21 PBC. The P21 PBC has application in lipid bilayer simulations as it can be used to allow lipids to switch leaftlets, thus rapidly balancing the chemical potential difference between the two layers. Our results show that the EES method scales efficiently over large number of processes and can be used for simulations with P21 symmetry in an orthorhombic crystal.
Effect of the spectrometer slit width and charge‐coupled device detector on Raman intensities
Authors: Jakubek Ryan S. 
Published: May 2021

AbstractIt is well known that Raman intensities are affected by the spectrometer slit width. Wider slit widths provide increased Raman intensity at the cost of decreased spectral wavenumber resolution. However, the relationship between the spectrometer slit width and observed Raman intensities is poorly understood. In this work, we develop a model, based on spectrometer geometric optics, to quantify the effects of spectrometer slit width on observed Raman intensities. We find that the observed Raman intensities are strongly dependent on the ratio of the slit function width and intrinsic Raman band width. Thus, even for Raman spectra collected using the same slit width, the observed Raman intensities will be affected by the different intrinsic bandwidths of each Raman band. Thus, the effects of the slit function on Raman intensities must be considered for all Raman spectra when examining Raman intensities. In addition, we show that the spectrometer linear dispersion and charge‐coupled device (CCD) pixel size have a large dependence on the Raman intensities reported by the CCD. Thus, when comparing Raman intensities across instruments or for a single instrument with a nonlinear wavenumber calibration, Raman intensities must be calibrated for the effects of the CCD. Using our model, we develop a general method for correcting observed Raman intensities for the effects of the slit width, intrinsic Raman band width, and CCD.
Selective cutoff reporting in studies of the accuracy of the Patient Health Questionnaire‐9 and Edinburgh Postnatal Depression Scale: Comparison of results based on published cutoffs versus all cutoffs using individual participant data meta‐analysis
Authors: Neupane Dipika , Levis Brooke , Bhandari Parash M. , Thombs Brett D. , Benedetti Andrea ,   DEPRESsion Screening Data (DEPRESSD) Collaboration
Published: May 2021

AbstractObjectivesSelectively reported results from only well‐performing cutoffs in diagnostic accuracy studies may bias estimates in meta‐analyses. We investigated cutoff reporting patterns for the Patient Health Questionnaire‐9 (PHQ‐9; standard cutoff 10) and Edinburgh Postnatal Depression Scale (EPDS; no standard cutoff, commonly used 10–13) and compared accuracy estimates based on published cutoffs versus all cutoffs.MethodsWe conducted bivariate random effects meta‐analyses using individual participant data to compare accuracy from published versus all cutoffs.ResultsFor the PHQ‐9 (30 studies, N = 11,773), published results underestimated sensitivity for cutoffs below 10 (median difference: −0.06) and overestimated for cutoffs above 10 (median difference: 0.07). EPDS (19 studies, N = 3637) sensitivity estimates from published results were similar for cutoffs below 10 (median difference: 0.00) but higher for cutoffs above 13 (median difference: 0.14). Specificity estimates from published and all cutoffs were similar for both tools. The mean cutoff of all reported cutoffs in PHQ‐9 studies with optimal cutoff below 10 was 8.8 compared to 11.8 for those with optimal cutoffs above 10. Mean for EPDS studies with optimal cutoffs below 10 was 9.9 compared to 11.8 for those with optimal cutoffs greater than 10.ConclusionSelective cutoff reporting was more pronounced for the PHQ‐9 than EPDS.
Effective bowel motion reduction in mouse abdominal MRI using hyoscine butylbromide
Authors: Bilreiro Carlos , Fernandes Francisca F. , Andrade Luísa , Chavarrías Cristina , Simões Rui V. , Matos Celso , Shemesh Noam 
Published: May 2021

PurposeBowel motion is a significant source of artifacts in mouse abdominal MRI. Fasting and administration of hyoscine butylbromide (BUSC) have been proposed for bowel motion reduction but with inconsistent results and limited efficacy assessments. Here, we evaluate these regimes for mouse abdominal MRI at high field.MethodsThirty‐two adult C57BL/6J mice were imaged on a 9.4T scanner with a FLASH sequence, acquired over 90 min with ~19 s temporal resolution. During MRI acquisition, 8 mice were injected with a low‐dose and 8 mice with a high‐dose bolus of BUSC (0.5 and 5 mg/kg, respectively). Eight mice were food deprived for 4.5‐6.5 hours before MRI and another group of eight mice was injected with saline during MRI acquisition. Two expert readers reviewed the images and classified bowel motion, and quantitative voxel‐wise analyses were performed for identification of moving regions. After defining the most effective protocol, high‐resolution T2‐weighted and diffusion‐weighted images were acquired from 4 mice.ResultsHigh‐dose BUSC was the most effective protocol for bowel motion reduction, for up to 45 min. Fasting and saline protocols were not effective in suppressing bowel motion. High‐resolution abdominal MRI clearly demonstrated improved image quality and ADC quantification with the high‐dose BUSC protocol.ConclusionOur data show that BUSC administration is advantageous for abdominal MRI in the mouse. Specifically, it endows significant bowel motion reduction, with relatively short onset timings after injection (~8.5 min) and relatively long duration of the effect (~45 min). These features improve the quality of high‐resolution images of the mouse abdomen.
Evaluation of Two Densities for Holding Live Food Fish in a Small Recirculating Aquaculture System
Authors: Bhattarai Sujan , Semmens Kenneth J. 
Published: May 2021

Abstract
Small recirculating aquaculture systems (RASs) are used to market live food fish, particularly in certain ethnic markets. We evaluated fish performance, water quality, and physiology of Channel Catfish (CCF) Ictalurus punctatus and Largemouth Bass (LMB) Micropterus salmoides that were harvested from ponds, transported, and held live at two stocking densities in a small RAS. One trial was conducted for each species, with two treatments (20 and 40 kg/m3) in each trial. Trials were conducted in individual RASs without feed during a holding period of 8 d. Water quality for each holding tank was measured at stocking and daily thereafter (24, 48, 72, 96, 120, 144, 168, and 192 h). Blood samples were obtained from fish to evaluate physiological response. Both CCF and LMB survived well in the system, with no mortality in either treatment. Average weight loss across both trials at a temperature of 15°C was 3.1% for CCF and 4.8% for LMB. Total ammonia nitrogen (TAN), un-ionized ammonia (UIA), nitrite, and nitrate increased significantly over time in both trials. Mean water pH was significantly lower and mean TAN and UIA were significantly higher in the 40-kg/m3 treatment for both trials. Blood glucose rose significantly after harvest and returned to a resting state during the holding period in both species. Blood sodium, potassium, and chloride also returned to a resting state within 24–72 h in the holding system. Estimated accumulation of TAN was 35.6 mg kg fish−1·d−1 for CCF and 21.6 mg kg fish−1·d−1 for LMB. Although the RAS biofilter was unable to convert ammonia to nitrate at the rate it was produced, the holding systems performed adequately at the densities evaluated. These trials provide data in support of the common practice of holding food-size CCF and LMB at densities of 40 kg/m3 or less over a period of 8 d in a small RAS.
Cellulose fiber from date palm petioles as potential reinforcement for polymer composites: Physicochemical and structural properties
Authors: Rajeshkumar G. , Hariharan V. , Devnani G. L. , Prakash Maran J. , Sanjay M. R. , Siengchin Suchart , Al‐Dhabi Naif Abdullah , Ponmurugan K. 
Published: May 2021

AbstractFirst time, this study reports the effect of benzoyl chloride (BC), potassium permanganate (PP), and stearic acid (SA) treatments on the surface morphology, physical, chemical, structural, mechanical, and thermal properties of cellulosic fiber obtained from date palm plant petioles. Morphology analysis displayed the existence of protrusions on treated fiber surface, which stimulates the mechanical interlocking between the fiber and polymer matrix. Highest cellulose (67.22%) and lowest hemicellulose (9.25%), lignin (14.02%), ash (3.25%), wax (0.10%), and moisture (8.93%) content were observed in SA‐treated fibers than others. Similarly, highest weight loss (20.80%), reduced diameter (0.3166 mm), and density (0.389 g/cc) were obtained in SA‐treated fibers than the other fibers investigated. Outcomes of FT‐IR spectra evident the presence of cellulose and partial removal of non‐cellulosic constituents in BC‐, PP‐, and SA‐treated fibers. Enhanced crystallinity index (69.5%) and crystallite size (7.43 nm) values of SA‐treated fiber indicated the elimination of amorphous lignin and hemicellulose, and made the structure to be more crystalline which supports to obtain higher tensile properties (tensile strength of 489.07 MPa and tensile modulus of 9.4 GPa) than others. Maximal degradation temperature of SA‐treated fiber was 328.86°C and also having kinetic activation energy of 90.7 kJ/mol.
Cure behavior of ethylene propylene diene terpolymer insulation for large composite rocket motor casing
Authors: Jabez Isaac Kingstone Lesley , Das Urmila , Manivannan Ramalingam , Anne Sarat Babu 
Published: May 2021

AbstractTwo potential formulations of sulfur cured ethylene propylene diene terpolymer (EPDM) insulation were characterized against the proven insulation based on nitrile rubber (NBR) in the earlier study. Unlike the proven insulation, the cure behavior exhibited by sulfur cured EPDM is quite different in that, the rheometer curves exhibit marching behavior even at elevated temperature for longer duration (160°C for 7 h; most severe condition). This warranted extensive cure study at different temperatures for varying durations in order to determine the optimum cure condition. The methodology adopted to find out the optimum cure condition and corroboration of the same in terms of instrumental techniques (differential scanning calorimetry, thermogravimetric analysis, and Fourier transform infrared), which are quite interesting, are discussed in this article.
Effect of graphite flake and multi‐walled carbon nanotube on thermal, mechanical, electrical, and electromagnetic interference shielding properties of polycarbonate nanocomposite
Authors: Pradhan Subhransu S. , Unnikrishnan Lakshmi , Mohanty Smita , Nayak Sanjay K. 
Published: May 2021

AbstractThe current study reports the preparation of polycarbonate (PC) nanocomposite using graphite flake (GF) and multi‐walled carbon nanotube (MWCNT) at varying weight percentages (10%, 20%, and 30%) by the melt mixing technique. The impact of filler on the properties of thermal conductivity (TC), electromagnetic interference shielding (EMI), electrical, and mechanical of the nanocomposite were studied. The improvement in the thermal conductivity value of ˃150% was achieved at a loading of 30% of graphite flake and 20% multiwalled carbon nanotubes. The morphology of the composite studied by field emission scanning electron microscope (FESEM), confirmed the dispersion of filler in the PC matrix. The electrical conductivity of both the optimized compositions achieved was in the order of 10−2 S/cm. Further, the EMI shielding of ∼35 and ∼32 dB was observed for graphite flake and MWCNT based composites, indicating the suitability of the developed system for various commercial applications.
Graphene oxide crosslinker for the enhancement of mechanical properties of polylactic acid
Authors: Sujan Majharul Islam , Sarkar Stephen Don , Roy Chanchal Kumar , Ferdous Mohammad , Goswami Ankur , Gafur Md Abdul , Azam Md Shafiul 
Published: May 2021

AbstractPolylactic acid (PLA) biopolymer appears to provide environmental advantages over the petroleum‐derived polymers but often ends up with limited applications owing to their poor mechanical performance and brittleness. Herein, we present a PLA polymer compatible graphene oxide (GO) based crosslinker with the intention of improving the mechanical properties. Lactic acid (LA) functionalized GO (GO‐LA) crosslinker was prepared and had been crosslinked with the PLA chains through a one‐step polycondensation reaction. The mechanical properties of the as‐synthesized GO crosslinked PLA (GO‐C‐PLA) were investigated by compression tests and compared with neat PLA, and GO reinforced PLA (GO‐PLA) with no crosslinking. With 0.3% of GO‐LA crosslinker in GO‐C‐PLA, the compressive modulus increased by nine times compared to that of the neat PLA. The compressive strength also increased to 46 MPa, which was four times higher than the neat PLA. This strategy for improving the mechanical properties by introducing GO‐based crosslinker can be used potentially for many polycondensation polymers and thus be useful for many high‐performance applications.
In‐Silico Tuning of Curcumin Loading on PEG Grafted Chitosan: An Atomistic Simulation
Authors: Sohrabi Somayeh , Khedri Mohammad , Maleki Reza , Moraveji Mostafa Keshavarz , Ghasemy Ebrahim 
Published: May 2021

AbstractIn this work, trimethyl chitosan grafted polyethylene glycol (PEG) was employed to optimize the curcumin loading, which is a natural bioactive substance with a good anti‐cancerous effect. It is vital to develop a novel carrier to increase the therapeutic effect of curcumin and decrease its hydrophobicity. Biocompatibility and hydrophilicity of the PEG cause it to be one of the most attractive drug carriers. Chitosan is also of great importance, considering its biocompatibility, and is used along with the drug‐carrying polymers. In this work, interaction energies, stability, hydrophilicity, and other molecular properties of the curcumin‐loaded PEG‐chitosan nanohybrid have been investigated. Atomistic analysis showd that the optimum concentration of chitosan is 60 % and optimum concentration of PEG is 40 %. In addition to concentration, the effect of PEG chain length, which is one of the important parameters of this circimin delivery system, has been also studied. The current work gives an atomistic insight into curcumin delivery and suggests a new curcumin delivery system.
On the Use of Black Ti as a Bone Substituting Biomaterial: Behind the Scenes of Dual‐Functionality
Authors: Modaresifar Khashayar , Ganjian Mahya , Angeloni Livia , Minneboo Michelle , Ghatkesar Murali K. , Hagedoorn Peter‐Leon , Fratila‐Apachitei Lidy E. , Zadpoor Amir A. 
Published: May 2021

AbstractDespite the potential of small‐scale pillars of black titanium (bTi) for killing the bacteria and directing the fate of stem cells, not much is known about the effects of the pillars’ design parameters on their biological properties. Here, three distinct bTi surfaces are designed and fabricated through dry etching of the titanium, each featuring different pillar designs. The interactions of the surfaces with MC3T3‐E1 preosteoblast cells and Staphylococcus aureus bacteria are then investigated. Pillars with different heights and spatial organizations differently influence the morphological characteristics of the cells, including their spreading area, aspect ratio, nucleus area, and cytoskeletal organization. The preferential formation of focal adhesions (FAs) and their size variations also depend on the type of topography. When the pillars are neither fully separated nor extremely tall, the colocalization of actin fibers and FAs as well as an enhanced matrix mineralization are observed. However, the killing efficiency of these pillars against the bacteria is not as high as that of fully separated and tall pillars. This study provides a new perspective on the dual‐functionality of bTi surfaces and elucidates how the surface design and fabrication parameters can be used to achieve a surface topography with balanced bactericidal and osteogenic properties.
Activation of Carbonyl Oxygen Sites in β‐Ketoenamine‐Linked Covalent Organic Frameworks via Cyano Conjugation for Efficient Photocatalytic Hydrogen Evolution
Authors: Wang Lvting , Zhang Lili , Lin Bizhou , Zheng Yanzhen , Chen Jingling , Zheng Yun , Gao Bifen , Long Jinlin , Chen Yilin 
Published: May 2021

Abstract2D covalent organic frameworks (COFs) are drawing intense attention in heterogenous photocatalysis due to their porous, crystalline, and tailor‐made structures. For highly efficient solar‐to‐chemical energy conversion, revealing and modulating active centers in the skeletons of COFs are of great importance but encounter severe challenges. Herein, it is demonstrated that cyano conjugation on a typical β‐ketoenamine‐linked COF via aldehyde‐imine Schiff‐base condensation contributes to an enhanced stable photocatalytic H2‐evolution rate of 1.8 mmol h−1 g−1 (λ > 420 nm) with a superior apparent quantum yield of 2.12% at 420 nm, compared to pristine COFs. Both experimental results and density functional theory calculations disclose that the cyano conjugation can efficiently improve photoinduced charge separation and effectively decrease the energy barrier for H‐intermediate generation on the carbonyl oxygen sites of the functionalized COFs. These findings present a precise organic functionalization strategy to optimize active centers on COF‐based photocatalysts for the practical applications.