bluuebunny/crossref_metadata_2025 huggingface dataset:
Composite Hydrogel Spheroids Based on Cellulose Nanofibrils and Nanofibrous Chiral Coordination Polymer by Green Synthesis
Authors: Engel Emile R. , Calabrese Vincenzo , Hossain Kazi M. Zakir , Edler Karen J. , Scott Janet L.
Published: October 2020

Cellulose‐based hydrogels are promising sustainable materials for a variety of applications, including tissue engineering, water treatment, and drug delivery. However, the tailoring of diverse properties by efficient green chemistry methods is an ongoing challenge. Here, composite hydrogels of consistent spheroidal structure, incorporating TEMPO‐oxidized cellulose nanofibrils and nanofibrous chiral Cu(II) aspartate coordination polymer, are presented. The hydrogels are prepared by a single‐step procedure in aqueous media at ambient temperature and pressure, adhering to the principles of green chemistry. With a view to adapting this method for a variety of alternative coordination polymers (to tailor functional properties), the following critical factors for formation of robust composite hydrogel spheroids are identified: rheological properties of the primary matrix used for spheroidal hydrogel formation and coordination polymer self‐assembly rate.
Effect of F Dopant on the Structural Stability, Redox Mechanism, and Electrochemical Performance of Li2MoO3 Cathode Materials
Authors: Teng Rui , Yu Hai‐Tao , Guo Chen‐Feng , Xie Ying , Yi Ting‐Feng
Published: October 2020

F‐doped Li2MoO3 (LMOF) nanosheets are successfully prepared by a facile method. The X‐Ray powder diffraction, scanning electron microscopy, and transmission electron microscopy results show that the thickness of the Li2MoO3 sheets decreases gradually with increasing F doping amount, while the interlayer spacing along the z‐axis increases. The X‐ray photoelectron spectroscopy and cyclic voltammetry results indicate that F doping is helpful for suppressing the irreversible phase transformation and the formation of Li2MoO4, and the relevant redox mechanism is discussed. Moreover, density functional theory calculations demonstrate that F‐doped samples exhibit a higher structural stability, which is important for the improvement of the electrochemical performance. The initial discharge capacities are 228.97, 229.74, 232.99, 238.07, and 250.07 mAh g−1, respectively for the LMOF‐0, LMOF‐1, LMOF‐3, LMOF‐5, and LMOF‐7 samples. LMOF‐5 has the best performance, and it can deliver a specific capacity of 96.1 mAh g−1 at the 500th cycle at a charge/discharge current density of 1020 mA g−1. The experiments identify the promising role of anion doping and offer some important information for the design and optimization of Li2MoO3‐based cathode materials.
Fabrication and Characterization of Composite Membranes for the Concentration of Lithium Containing Solutions Using Forward Osmosis
Authors: Wagh Priyesh , Islam Syed Z. , Deshmane Vishwanath G. , Gangavarapu Pranathi , Poplawsky Jonathan , Yang Guang , Sacci Robert , Evans Samuel F. , Mahajan Sidharth , Paranthaman M. Parans , Moyer Bruce , Harrison Stephen , Bhave Ramesh
Published: October 2020

In this study, an energy and highly time efficient, cost effective, and scalable forward osmosis (FO) composite polyvinylidene fluoride (PVDF) membrane is developed to concentrate lithium chloride recovered from naturally occurring geothermal brine resources. Dense thin robust defect‐free Kynar‐PVDF membranes are fabricated on porous PVDF hollow fiber supports. Various membrane fabrication parameters such as membrane thickness, coating solution concentration, cross‐linker concentration, and curing temperature are studied to develop a defect‐free dense membrane. Advanced characterization tools such as FIB‐SEM, Raman, FTIR spectroscopy, and XRD are used to study the surface and cross‐sectional morphology, chemistry of crosslinking, crystallinity and chemical structure of the dense PVDF membrane. FO is utilized to concentrate LiCl in the solution from 36 to 175 g L−1 with an average water transfer rate of 0.450 L m−2 h−1 (LMH) at 85 °C. Furthermore, the membrane showed stable performance for more than 550 h while maintaining the purity of the concentrated lithium chloride solution of >99.99 wt%. The results suggest that the FO‐based technology is an innovative, time and energy efficient approach compared to the conventional technologies for concentration of battery grade LiCl for application in lithium ion batteries and other clean energy technologies.
Porous Aromatic Framework Nanosheets Anchored with Lewis Pairs for Efficient and Recyclable Heterogeneous Catalysis
Authors: Meng Qinghao , Huang Yihan , Deng Dan , Yang Yajie , Sha Haoyan , Zou Xiaoqin , Faller Roland , Yuan Ye , Zhu Guangshan
Published: October 2020

Lewis pairs (LPs) with outstanding performance for nonmetal‐mediated catalysis reactions have high fundamental interest and remarkable application prospects. However, their solubility characteristics lead to instability and deactivation upon recycling. Here, the layered porous aromatic framework (PAF‐6), featuring two kinds of Lewis base sites (NPiperazine and NTriazine), is exfoliated into few‐layer nanosheets to form the LP entity with the Lewis acid. After comparison with various porous networks and verification by density functional theory (DFT) calculations, the NTriazine atom in the specific spatial environment is determined to preferably coordinate with the electron‐deficient boron compound in a sterically hindered pattern. LP‐bare porous product displays high catalytic activity for the hydrogenation of both olefin and imine compounds, and demonstrates ≈100% activity after 10 successful cycles in hydrogenation reactions. Considering the natural advantage of porous organic frameworks to construct LP groups opens up novel prospects for preparing other nonmetallic heterogeneous catalysts for efficient and recyclable catalysis.
Spatiotemporal variation of soil moisture in Northern China based on climate change initiative data
Authors: Yao X. L. , Jiang Q. , Liu Y. , Li L. Y. , Wang Q. Y. , Yu J. S.
Published: October 2020

In view of the sparse, uneven distribution and poor data continuity of measured soil moisture sites in China and the lack of large‐scale research, the soil moisture data set of the European Space Agency (ESA) Climate Change Initiative (CCI) was applied to carry out spatial‐temporal variation analysis of soil moisture in five agricultural ecological zones in Northern China. The Pearson correlation coefficient and multiple‐component metric Kling–Gupta efficiency were used to verify the validity of remote sensing data and to analyze the temporal and spatial variation of soil moisture with the concept of temporal and spatial persistence. The ESA CCI remote sensing soil moisture data had good spatial and temporal adaptability for the whole year in the Huang‐Huai‐Hai region, in summer in Northeast China, in spring in Northwest China, in summer and autumn in the Loess Plateau, and in summer and autumn in the Inner Mongolian Plateau. The annual mean soil volume water content in Northern China from 1991 to 2016 was 0.06–0.39 m3 m−3. Spatially, soil moisture in Northern China has been gradually increasing from west to east. In this area, seasonally, soil moisture was the highest in summer, followed by autumn and then winter and spring. Northeast China, the Loess Plateau, and the Huang‐Huai‐Hai region are important grain‐producing areas in China. The soil moisture in these areas fluctuates widely with seasonal changes and shows an obvious drying trend.
Dye‐Doped Silica Nanoparticles for Enhanced ECL‐Based Immunoassay Analytical Performance
Authors: Zanut Alessandra , Palomba Francesco , Rossi Scota Matilde , Rebeccani Sara , Marcaccio Massimo , Genovese Damiano , Rampazzo Enrico , Valenti Giovanni , Paolucci Francesco , Prodi Luca
Published: October 2020

The combination of highly sensitive techniques such as electrochemiluminescence (ECL) with nanotechnology sparked new analytical applications, in particular for immunoassay‐based detection systems. In this context, nanomaterials, particularly dye‐doped silica nanoparticles (DDSNPs) are of high interest, since they can offer several advantages in terms of sensitivity and performance. In this work we synthesized two sets of monodispersed and biotinylated [Ru(bpy)3]2+‐doped silica nanoparticles, named bio‐Triton@RuNP and bio‐Igepal@RuNP, obtained following the reverse microemulsion method using two different types of nonionic surfactants. Controlling the synthetic procedures, we were able to obtain nanoparticles (NPs) offering highly intense signal, using tri‐n‐propylamine (TPrA) as coreactant, with bio‐Triton@RuNps being more efficient than bio‐Igepal@RuNP.
London Dispersion in Alkanen als Lösungsmittel
Authors: Strauss Marcel A. , Wegner Hermann A.
Published: October 2020

Die Bedeutung der London‐Dispersionswechselwirkungen in Lösung ist eine anhaltende Debatte. Obwohl der Stellenwert der Dispersion für Struktur und Stabilität weithin anerkannt ist, ist der Grad ihrer Abschwächung in Lösung immer noch nicht richtig verstanden. Quantitative Abschätzungen stammen meist von Berechnungen. Experimentelle Daten liefern Anhaltspunkte für die Einbeziehung der London‐Dispersion bei der Anpassung der Flüssigphase. Dabei wurden dispersive Wechselwirkungen mit einer Azobenzolsonde untersucht. Alkylsubstituenten in meta‐Positionen des Azobenzolgerüsts wurden systematisch variiert und die Auswirkung auf die Halbwertszeiten für die thermisch induzierte Z‐ zu E‐Isomerisierung in mehreren Alkanen als Lösungsmitteln bestimmt. Die Ergebnisse zeigen, dass die intramolekulare Dispersion nur geringfügig beeinflusst wird. In Lösungsmitteln mit niedriger Oberflächenspannung erhöhen reduzierte destabilisierende Lösungsmittel‐Lösungsmittel‐Wechselwirkungen die Halbwertszeit um bis zu 20 %. Spezifische individuelle Wechselwirkungen zwischen Alkylketten am Azobenzol und denen des Lösungsmittels führen zu zusätzlichen Schwankungen der Halbwertszeiten. Diese resultieren vermutlich aus strukturellen Veränderungen des Konformeren‐ensembles.
London Dispersion in Alkane Solvents
Authors: Strauss Marcel A. , Wegner Hermann A.
Published: October 2020

The importance of London dispersion interactions in solution is an ongoing debate. Although the significance of dispersion for structure and stability is widely accepted, the degree of its attenuation in solution is still not properly understood. Quantitative evaluations are derived mostly from computations. Experimental data provide guidelines to include London dispersion in solution phase design. Herein, dispersive interactions were examined with an azobenzene probe. Alkyl substituents in meta positions of the azobenzene core were systematically varied and the effect on the half‐lives for the thermally induced Z to E isomerization in several alkane solvents was determined. The results show that intramolecular dispersion is only marginally influenced. In solvents with low surface tension, reduced destabilizing solvent‐solvent interactions increase the half‐life up to 20 %. Specific individual interactions between alkyl chains on the azobenzene and those of the solvent lead to additional fluctuations of the half‐lives. These presumably result from structural changes of the conformer ensemble.
Increasing the performance of asymmetric pervaporation membranes for the separation of methanol/methyl‐tert‐butyl ether mixtures by the introduction of sulfonated polyimide into the poly(amide‐imide) matrix
Authors: Sapegin Denis Andzheevich , Gubanova Galina Nikolaevna , Popova Elena Nikolaevna , Kononova Svetlana Viktorovna
Published: October 2020

A series of novel asymmetric membranes from polymer composites of poly(amide‐imide) with various content of sulfonated polyimide (1–6 wt%) was obtained through the nonsolvent‐induced phase separation process. Selective transport properties of the obtained materials were investigated in terms of pervaporation separation of methanol/methyl‐tert‐butyl ether mixtures at different temperatures. The introduction of the sulfonated polyimide to the poly(amide‐imide) matrix leads to a significant increase in membrane flux and an overall decrease in the process selectivity. Composite membranes having 1 wt% sulfonated polyimide in the matrix showed increased values of membrane flux (0.960 kg m−2 h−1 in comparison with 0.682 kg m−2 h−1 for unmodified membranes at 40°C, 10 wt% methanol), while having similar selectivity values (79.2 wt% methanol in permeate in comparison with 82 wt% for unmodified membranes at 40°C, 10 wt% methanol). Modified membrane showed the highest separation factor of 147 while separating methanol from its 3 wt% mixture with methyl‐tert butyl ether at 52°C with the overall flux of 1.01 kg m−2 h−1. A semiempirical mathematical model was developed and applied to test the efficiency of obtained membranes in the hybrid process of methanol/methyl‐tert‐butyl ether mixtures separation.
Use of Biologics to Treat Relapsing and/or Refractory Eosinophilic Granulomatosis With Polyangiitis: Data From a European Collaborative Study
Authors: Canzian Alice , Venhoff Nils , Urban Maria Letizia , Sartorelli Silvia , Ruppert Anne‐Marie , Groh Matthieu , Girszyn Nicolas , Taillé Camille , Maurier François , Cottin Vincent , de Moreuil Claire , Germain Vincent , Samson Maxime , Jachiet Marie , Denis Laure , Rieu Virginie , Smets Perrine , Pugnet Grégory , Deroux Alban , Durel Cécile‐Audrey , Aouba Achille , Cathébras Pascal , Deligny Christophe , Faguer Stanislas , Gil Helder , Godeau Bertrand , Lifermann François , Phin‐Huynh Sophie , Ruivard Marc , Bonniaud Philippe , Puéchal Xavier , Kahn Jean‐Emmanuel , Thiel Jens , Dagna Lorenzo , Guillevin Loïc , Vaglio Augusto , Emmi Giacomo , Terrier Benjamin ,   for the French Vasculitis Study Group and the European EGPA Study Group
Published: October 2020

Objective

To describe the efficacy and safety of biologics for the treatment of eosinophilic granulomatosis with polyangiitis (EGPA).

Methods

A retrospective European collaborative study was conducted in patients with EGPA who received treatment with biologics for refractory and/or relapsing disease.

Results

Among the 147 patients with EGPA included in the study, 63 received rituximab (RTX), 51 received mepolizumab (MEPO), and 33 received omalizumab (OMA). At the time of inclusion, the median Birmingham Vasculitis Activity Score (BVAS) was 8.5 (interquartile range [IQR] 5–13) in the RTX group, while the median BVAS in the OMA group was 2 (IQR 1–4.5) and the median BVAS in the MEPO group was 2 (IQR 1–5). In patients receiving RTX, the median BVAS declined both at 6 months (median 1, IQR 0–4.5) and at 12 months (median 0, IQR 0–2), and the frequency of remission, partial response, treatment failure, and stopping treatment due to adverse events was 49%, 24%, 24%, and 3%, respectively. For the treatment of glucocorticoid (GC)–dependent asthma, patients who received MEPO had a much better GC‐sparing effect and overall response than did patients who received OMA. The frequency of remission, partial response, treatment failure, and stopping treatment due to adverse events was 15%, 33%, 48%, and 4%, respectively, in the OMA group and 78%, 10%, 8%, and 4%, respectively, in the MEPO group. Remission rates at 12 months were 76% and 82% among patients receiving MEPO at a doses of 100 mg and 300 mg, respectively.

Conclusion

These results suggest that RTX could be effective in treating relapses of EGPA vasculitis. MEPO is highly effective with a good safety profile in patients with GC‐dependent asthma. Our data suggest that 100 mg MEPO monthly could be an acceptable dosage for first‐line therapy in selected instances of EGPA, recognizing, however, that this has not been compared to the validated dosage of 300 mg monthly.
Synchrony of Respiratory Sinus Arrhythmia in Parents and Children with Autism Spectrum Disorder: Moderation by Interaction Quality and Child Behavior Problems
Authors: Wang Hui , Suveg Cynthia , West Kara B. , Han Zhuo R. , Zhang Xutong , Hu Xiaoyi , Yi Li
Published: October 2020

Parent–child physiological synchrony, the matching of physiological states between parents and children, is theorized to be important for typically developing (TD) children, but less is known about this process in families of children with autism spectrum disorder (ASD). In a sample of 29 children (M age = 8.00 years, SD = 1.51 years) with ASD and 39 TD‐matched children (M age = 7.32 years, SD = 1.36 years) and their primary caregivers (n = 68), we examined whether parent–child dyads showed physiological synchrony indexed by respiratory sinus arrhythmia (RSA) during an interaction, and whether RSA synchrony differed by parent–child interaction quality and child behavior problems. Results indicated that dyads with TD children showed stronger positive RSA synchrony than dyads with children with ASD. Furthermore, for families of children with ASD, RSA synchrony was stronger in families with higher interaction quality and fewer child internalizing problems. These results provide preliminary evidence of parent–child RSA synchrony in families of children with ASD and identify factors that may influence this physiological process. Implications of these findings for social and emotional development in children with ASD are discussed.

Lay Summary

Parents and children can get “in tune” with one another at the biological level – a process called physiological synchrony. We studied physiological synchrony in families of children with autism spectrum disorder (ASD) in comparison to same‐aged children who had no mental health disorders. We also examined how physiological synchrony might be associated with parent–child interaction quality and child behavior problems. We found that families with a child with ASD showed weaker physiological synchrony than families with a child who was typically developing. Further, we found that physiological synchrony was stronger when parents and children with ASD showed higher interaction quality and when children with ASD had lower internalizing problems. These findings contribute to our understanding of family functioning in the context of ASD and have potential implications for future work.
An institutional perspective on consumers' environmental awareness and pro‐environmental behavioral intention: Evidence from 39 countries
Authors: Yang Morgan X. , Tang Xuan , Cheung Man Lai , Zhang Ying
Published: October 2020

We adopted an institutional approach to examine the relationship between environmental awareness and pro‐environmental behavioral intention at the individual level. We also compared the moderating effects of regulative, normative, and cognitive social institutions on this relationship. Based on survey data representing 42,962 consumers from 39 nations, we found that consumers' environmental awareness promoted their pro‐environmental behavioral intention. Moreover, we found that normative social institutions negatively moderated the relationship between environmental awareness and pro‐environmental behavioral intention, whereas cognitive social institutions positively moderated this relationship. This paper concludes with a discussion of the implications of these empirical findings.
Hemodynamic response to transseptal transcatheter mitral valve replacement in patients with severe mitral stenosis due to severe mitral annular calcification
Authors: Misumida Naoki , Guerrero Mayra , Pislaru Sorin V. , Alkhouli Mohamad , Rihal Charanjit S. , Eleid Mackram F.
Published: October 2020

Objectives

We aimed to investigate the invasive hemodynamic changes with transcatheter mitral valve replacement (TMVR) in patients with severe mitral stenosis due to severe mitral annular calcification.

Background

The hemodynamic response to TMVR in patients with mitral stenosis related to degenerative mitral annular calcification has not been fully elucidated.

Methods

We conducted retrospective review of patients who underwent successful transseptal TMVR with balloon‐expandable valves for symptomatic severe mitral stenosis due to mitral annular calcification at our institution between January 2014 and February 2020. Invasive hemodynamic measurements were obtained both before valve implantation (predeployment) and after (postdeployment).

Results

Eighteen patients (age 72 ± 10 years, 44% female) were included for the analysis. There was a significant reduction in mean left atrial pressure (23.7 ± 5.6 mmHg versus 20.6 ± 4.8 mmHg; p = .01), left atrial v‐wave (mean 39.3 ± 10.2 mmHg versus 32.9 ± 9.9 mmHg; p = .01), and an increase in systemic mean blood pressure (72.6 mmHg ±11.2 versus 79.5 ± 9.9 mmHg; p = .02) postdeployment compared to predeployment. Patients who had symptom improvement at 30‐day follow‐up tended to have greater reduction in mean left atrial pressure (4.4 ± 4.4 mmHg versus 0.5 ± 5.2 mmHg; p = .16) and v‐wave (8.6 ± 9.0 mmHg versus 0.7 ± 8.4 mmHg; p = .10) compared to those who did not experience improvement of symptoms.

Conclusions

Transseptal TMVR for severe mitral stenosis due to mitral annular calcification is associated with reductions in mean left atrial pressure and left atrial v‐wave, and an increase in systemic arterial pressure.
Fall dry matter yield and nutritive value of winter rye, wheat, and triticale cultivars in Wisconsin
Authors: Coblentz Wayne K. , Akins Matthew S. , Cavadini Jason S.
Published: October 2020

Although grazing vegetative winter annual cereals is common throughout the Southern Plains, it generally has not been considered in the northern United States. This research aimed to evaluate the fall forage yield and nutritive value of winter wheat (Triticum aestivum L.), rye (Secale cereale L.), and triticale [× Triticosecale Wittm. ex A. Camus (Secale × Triticum)], cultivars in central Wisconsin. The trial was conducted over 3 yr in a randomized complete block design. Plots were established on 15 Aug. 2017, 13 Aug. 2018, and 1 Aug. 2019. Treatments consisted of a factorial arrangement of three winter cereal species (rye, triticale and wheat) and four targeted fall harvest dates (15 October, 1 November, 15 November, and 1 December). Fall yields ranged from 1,819 to 1,994, 465 to 957, and 1,144 to 1,357 lb dry matter (DM) acre–1 across species during 2017, 2018, and 2019, respectively, but consistent advantages for any species were difficult to discern. There was little evidence that fall yields were improved by delaying the harvest date beyond 15 October. Although the nutritive value of winter cereals was excellent, variations in net energy of lactation (NEL) were positively correlated with water‐soluble carbohydrates for 2018 (r = 0.57) and 2019 (r = 0.46). Whole‐plant ash was negatively associated with NEL, yielding significant correlations for 2017 (r = –0.97), 2018 (r = –0.88), and 2019 (r = –0.66). Spring yields of cereal rye were reduced compared with other species in 2019 and 2020 but no differences were detected in 2018.
Development of a hybrid pressure drop and liquid holdup phenomenological model for trickle bed reactors based on two‐phase volume averaged equations
Authors: Qi Binbin , Uribe Sebastián , Farid Omar , Al‐Dahhan Muthanna
Published: October 2020

A model with a high predictive quality to estimate pressure drops and liquid holdups in trickle bed reactors (TBR) is yet necessary to assist in design, up scaling, and the implementation of new processes tasks. The currently available models to estimate pressure drops and liquid holdups on TBRs exhibit important deviations, which lead to uncertainties in their applicability. To overcome the limitations in prediction deviations in the currently available models, a new model is developed based on the volume averaged two‐phase transport equations in a porous media, as developed by Whitaker. In order to develop a model that could simultaneously predict pressure drops and liquid holdup with a high accuracy, the developed model was coupled with a modification of the extended slit model reported in the literature, leading to a new hybrid model with enhanced predictability. Experimentally determined pressure drops and liquid holdup in a column with a 0.14 m internal diameter and a height of 2 m, packed with different extrudate geometries, cylinders, trilobes, and quadlobes, were used to determine the model parameters and to verify the quality of the proposed hybrid model predictions. The developed model, when compared with the experimentally determined data of pressure drops showed mean squared errors (MSE) of 0.89%, 2.31%, and 1.22% for the cylinders, trilobes, and quadlobes particles, respectively, while the liquid holdups were predicted with MSEs of 0.03%, 0.16%, and 0.01% for the cylinders, trilobes, and quadlobes particles, respectively.
Surgeons and perioperative opioid prescribing: An underappreciated contributor to the opioid epidemic
Authors: Serrell Emily C. , Greenberg Caprice C. , Borza Tudor
Published: October 2020

Opioid prescribing after surgery remains a key contributor to the national opioid epidemic. Direct surgeon engagement and granular data are required to overcome the limited response to current policies.
Large reduction in opioid prescribing by a multipronged behavioral intervention after major urologic surgery
Authors: Jacobs Bruce L. , Rogers Devin , Yabes Jonathan G. , Bandari Jathin , Ayyash Omar M. , Maganty Avinash , Armann Kody M. , Worku Hermoon A. , Pace Natalie M. , Shah Anup , Pekala Kelly R. , Yu Michelle , Chelly Jacques E. , Macleod Liam C. , Davies Benjamin J.
Published: October 2020

Background

Surgeons play a pivotal role in combating the opioid crisis that currently grips the United States. Changing surgeon behavior is difficult, and the degree to which behavioral science can steer surgeons toward decreased opioid prescribing is unclear.

Methods

This was a single‐institution, single‐arm, pre‐ and postintervention study examining the prescribing of opioids by urologists for adult patients undergoing prostatectomy or nephrectomy. The primary outcome was the quantity of opioids prescribed in oral morphine equivalents (OMEs) after hospital discharge. The primary exposure was a multipronged behavioral intervention designed to decrease opioid prescribing. The intervention had 3 components: 1) formal education, 2) individual audit feedback, and 3) peer comparison performance feedback. There were 3 phases to the study: a pre‐intervention phase, an intervention phase, and a washout phase.

Results

Three hundred eighty‐two patients underwent prostatectomy, and 306 patients underwent nephrectomy. The median OMEs decreased from 195 to 19 in the prostatectomy patients and from 200 to 0 in the nephrectomy patients (P < .05 for both). The median OMEs prescribed did not increase during the washout phase. Prostatectomy patients discharged with opioids had higher levels of anxiety than patients discharged without opioids (P < .05). Otherwise, prostatectomy and nephrectomy patients discharged with and without opioids did not differ in their perception of postoperative pain management, activity levels, psychiatric symptoms, or somatic symptoms (P > .05 for all).

Conclusions

Implementing a multipronged behavioral intervention significantly reduced opioid prescribing for patients undergoing prostatectomy or nephrectomy without compromising patient‐reported outcomes.
Comparison of Different Reweighting Approaches for the Calculation of Conformational Variability of Macromolecules from Molecular Simulations
Authors: Medeiros Selegato Denise , Bracco Cesare , Giannelli Carlotta , Parigi Giacomo , Luchinat Claudio , Sgheri Luca , Ravera Enrico
Published: October 2020

Conformational variability and heterogeneity are crucial determinants of the function of biological macromolecules. The possibility of accessing this information experimentally suffers from severe under‐determination of the problem, since there are a few experimental observables to be accounted for by a (potentially) infinite number of available conformational states. Several computational methods have been proposed over the years in order to circumvent this theoretically insurmountable obstacle. A large share of these strategies is based on reweighting an initial conformational ensemble which arises from, for example, molecular simulations of different qualities and levels of theory. In this work, we compare the outcome of three reweighting approaches based on radically different views of the conformational heterogeneity problem, namely Maximum Entropy, Maximum Parsimony and Maximum Occurrence, and we do so using the same experimental data. In this comparison we find both expected as well as unexpected similarities.
Structural Stability of the CO2@sI Hydrate: a Bottom‐Up Quantum Chemistry Approach on the Guest‐Cage and Inter‐Cage Interactions
Authors: Cabrera‐Ramírez Adriana , Arismendi‐Arrieta Daniel J. , Valdés Álvaro , Prosmiti Rita
Published: October 2020

Through reliable first‐principles computations, we have demonstrated the impact of CO2 molecules enclathration on the stability of sI clathrate hydrates. Given the delicate balance between the interaction energy components (van der Waals, hydrogen bonds) present on such systems, we follow a systematic bottom‐up approach starting from the individual 512 and 51262 sI cages, up to all existing combinations of two‐adjacent sI crystal cages to evaluate how such clathrate‐like models perform on the evaluation of the guest‐host and first‐neighbors inter‐cage effects, respectively. Interaction and binding energies of the CO2 occupation of the sI cages were computed using DF‐MP2 and different DFT/DFT−D electronic structure methodologies. The performance of selected DFT functionals, together with various semi‐classical dispersion corrections schemes, were validated by comparison with reference ab initio DF‐MP2 data, as well as experimental data from x‐ray and neutron diffraction studies available. Our investigation confirms that the inclusion of the CO2 in the cage/s is an energetically favorable process, with the CO2 molecule preferring to occupy the large 51262 sI cages compared to the 512 ones. Further, the present results conclude on the rigidity of the water cages arrangements, showing the importance of the inter‐cage couplings in the cluster models under study. In particular, the guest‐cage interaction is the key factor for the preferential orientation of the captured CO2 molecules in the sI cages, while the inter‐cage interactions seems to cause minor distortions with the CO2 guest neighbors interactions do not extending beyond the large 51262 sI cages. Such findings on these clathrate‐like model systems are in accord with experimental observations, drawing a direct relevance to the structural stability of CO2@sI clathrates.
Aqueous Co‐Solvent in Zwitterionic‐based Protic Ionic Liquids as Electrolytes in 2.0 V Supercapacitors
Authors: Lu Xuejun , Vicent‐Luna José Manuel , Calero Sofia , Roldán‐Ruiz María J. , Jiménez Ricardo , Ferrer M. Luisa , Gutiérrez María C. , del Monte Francisco
Published: October 2020

High‐performance energy‐storage devices are receiving great interest in sustainable terms as a required complement to renewable energy sources to level out the imbalances between supply and demand. Besides electrode optimization, a primary objective is also the judicious design of high‐performance electrolytes combining novel ionic liquids (ILs) and mixtures of aqueous solvents capable of offering “à la carte” properties. Herein, it is described the stoichiometric addition of a zwitterion such as betaine (BET) to protic ILs (PILs) such as those formed between methane sulfonic acid (MSAH) or p‐toluenesulfonic acid (PTSAH) with ethanolamine (EOA). This addition resulted in the formation of zwitterionic‐based PILs (ZPILs) containing the original anion and cation as well as the zwitterion. The ZPILs prepared in this work ([EOAH]+[BET][MSA]− and [EOAH]+[BET][PTSA]−) were liquid at room temperature even though the original PILs ([EOAH]+[MSA]− and [EOAH]+[PTSA]−) were not. Moreover, ZPILs exhibited a wide electrochemical stability window, up to 3.7 V vs. Ag wire for [EOAH]+[BET][MSA]− and 4.0 V vs. Ag wire for [EOAH]+[BET][PTSA]− at room temperature, and a high miscibility with both water and aqueous co‐solvent (WcS) mixtures. In particular, “WcS‐in‐ZPIL” mixtures of [EOAH]+[BET][MSA]− in 2 H2O/ACN/DMSO provided specific capacitances of approximately 83 F g−1 at current densities of 1 A g−1, and capacity retentions of approximately 90 % after 6000 cycles when operating at a voltage of 2.0 V and a current density of 4 A g−1.
Diagnosis of hairy cell leukaemia by fine needle aspiration cytology of lymph node
Authors: Suneel Rachagiri , Rajasekaran Sangamitra , Kaur Harpreet , Mallik Nabhajit , Garg Deepak , Jain Arihant , Dey Pranab
Published: October 2020

Background

Hairy cell leukaemia (HCL) is a rare lymphoproliferative disorder of B cell origin, and uncommonly it affects the lymph node. Fine needle aspiration cytology (FNAC) of lymph node of HCL has rarely been described.

Case description and diagnosis

A 41‐year‐old man presented with pallor, fever, tachycardia, generalized lymphadenopathy, and massive splenomegaly. The FNAC of the cervical lymph node was done. The smears showed many atypical lymphocytes with a plasmacytoid appearance. There were many large cells with round to reniform shaped nuclei having with hair‐like cytoplasmic processes. Flow cytometry (FCM) revealed a clonal B cell population with light chain restriction and positive CD20, CD79b, CD22, CD11c, CD25, CD103, CD123, and CD200 markers.

Conclusion

The characteristic cytological features such as atypical lymphoid cells, large cells with hairy projections along with FCM findings, are helpful in the diagnosis of HCL.
Evaluation of dried blood spots as an alternative sample matrix for equine antidoping analysis
Authors: Moeller Benjamin C. , Yang Zicheng
Published: October 2020

Controlling the abuse of prohibited substances such as anabolic steroids, selective androgen receptor modulators, β‐adrenoceptor agonists, and blood doping agents is of great interest to racing authorities. The use of dried blood spots (DBS) as an alternative sampling approach may be a feasible approach for controlling the use of these agents. To assess the feasibility of using DBS in equine blood, an 11‐min liquid chromatography–mass spectrometry method was developed on a triple quadrupole mass spectrometer following extraction from Whatman 903 DBS cards. A total of 50 compounds across multiple compound classes were detectable with reproducible results. The stability was assessed with good results after almost 3 months of storage at ambient temperatures. These results suggest that the use of DBS may be a feasible alternative sampling approach in equine drug testing.
Salinity, not genetic incompatibilities, limits the establishment of the invasive hybrid cattail Typha × glauca in coastal wetlands
Authors: Tisshaw Kathryn , Freeland Joanna , Dorken Marcel
Published: October 2020

Hybrids of a single pair of parent species can be much more common in some geographical regions than in others. The reasons for this are not well understood, but could help explain processes such as species diversification or the range expansion of invasive hybrids. The widespread cattails Typha latifolia and T. angustifolia seldom hybridize in some parts of their range, but in other areas produce the dominant hybrid T. × glauca. We used a combination of field and greenhouse experiments to investigate why T. × glauca has invaded wetlands in the Laurentian Great Lakes region of southern Ontario, Canada, but is much less common in the coastal wetlands of Nova Scotia (NS) in eastern Canada. One potentially important environmental difference between these two regions is salinity. We therefore tested three hypotheses: (1) T. latifolia and T. angustifolia in NS are genetically incompatible; (2) the germination or growth of T. × glauca is reduced by salinity; and (3) T. latifolia, a main competitor of T. × glauca, is locally adapted to saline conditions in NS. Our experiments showed that NS T. latifolia and T. angustifolia are genetically compatible, and that saline conditions do not impede growth of hybrid plants. However, we also found that under conditions of high salinity, germination rates of hybrid seeds were substantially lower than those of NS T. latifolia. In addition, germination rates of NS T. latifolia were higher than those of Ontario T. latifolia, suggesting local adaptation to salinity in coastal wetlands. This study adds to the growing body of literature which identifies the important roles that local habitat and adaptation can play in the distributions and characteristics of hybrid zones.
Environmental gradients influence biogeographic patterns of nonconsumptive predator effects on oysters
Authors: Kimbro David L. , Scherer Avery E. , Byers James E. , Grabowski Jonathan H. , Hughes A. Randall , Piehler Michael F. , Smee Delbert L.
Published: October 2020

When prey alter behavioral or morphological traits to reduce predation risk, they often incur fitness costs through reduced growth and reproduction as well as increased mortality that are known as nonconsumptive effects (NCEs). Environmental context and trophic structure can individually alter the strength of NCEs, yet the interactive influence of these contexts in natural settings is less understood. At six sites across 1000 km of the Southeastern Atlantic Bight (SAB), we constructed oyster reefs with one, two, or three trophic levels and evaluated the traits of focal juvenile oysters exposed to predation risk cues. We monitored environmental variables (water flow velocity, microalgal resources, and oyster larval recruitment) that may have altered how oysters respond to risk, and we also assessed the cost of trait changes to oyster mortality and growth when they were protected from direct predatory loss. Regardless of trophic structure, we found that oyster shell strength and natural oyster recruitment peaked at the center of the region. This high recruitment negated the potential for NCEs by smothering and killing the focal oysters. Also independent of trophic structure, focal oysters grew the most at the northernmost site. In contrast to, and perhaps because of, these strong environmental effects, the oyster traits of condition index and larval recruitment were only suppressed by the trophic treatment with a full complement of risk cues from intermediate and top predators at just the southernmost site. But at this same site, statistically significant NCEs on oyster growth and mortality were not detected. More strikingly, our study demonstrated environmental gradients that differentially influence oysters throughout the SAB. In particular, the results of our trophic manipulation experiment across these gradients suggest that in the absence of predation, environmental differences among sites may overwhelm the influence of NCEs on prey traits and population dynamics.
Woody plant growth increases with precipitation intensity in a cold semiarid system
Authors: Holdrege Martin C. , Beard Karen H. , Kulmatiski Andrew
Published: October 2020

As the atmosphere warms, precipitation events become larger, but less frequent. Yet, there is fundamental disagreement about how increased precipitation intensity will affect vegetation. Walter's two‐layer hypothesis and experiments testing it have demonstrated that precipitation intensity can increase woody plant growth. Observational studies have found the opposite pattern. Not only are the patterns contradictory, but inference is largely limited to grasslands and savannas. We tested the effects of increased precipitation intensity in a shrub‐steppe ecosystem that receives >30% of its precipitation as snow. We used 11 (8 × 8 m) shelters to collect and redeposit rain and snow as larger, more intense events. Total annual precipitation was the same in all plots, but each plot received different precipitation event sizes ranging from 1 to 18 mm. Over three growing seasons, larger precipitation event sizes increased soil water availability, sagebrush (Artemisia tridentata) stem radius, and canopy greenness, decreased new root growth in shallow soils, and had no effect on herbaceous plant cover. Thus, we found that increased precipitation intensity can increase soil water availability and woody plant growth in a cold semiarid system. Assuming that stem growth is positively correlated with shrub reproduction, establishment and spread, results suggest that increasing precipitation intensity may have contributed to the woody plant encroachment observed around the world in the past 50 yr. Further, continuing increases in precipitation intensity caused by atmospheric warming are likely to continue to contribute to shrub encroachment in the future.
Dietary Lipid Supplementation Could Significantly Affect the Growth, Fatty Acid Profiles, and Expression of PPARα, Leptin, and Adiponectin Genes in Juvenile Genetically Improved Farmed Tilapia
Authors: Ding Zhaokun , Liu Yongqiang , Han Jinhua , Liu Xiaoli , Zheng Yimin , Li Weifeng , Xu Youqing
Published: October 2020

This study aims to investigate the effect of different dietary lipid levels on the growth performance, fatty acids and their relative enzymes, and expression of peroxisome proliferator‐activated receptor α (PPARα), leptin, and adiponectin genes in juvenile genetic improvement farmed tilapia (GIFT, Oreochromis niloticus). Six groups of the juveniles with 40 d of age in triplicate are fed for 90 d using six iso‐nitrogen (34 g/100 g dietary protein) diets with different lipid levels: 0.35 (control), 3.35, 6.35, 9.35, 12.35, and 15.35 g/100 g adjusted by adding fish oil. It is concluded that the greatest effect is found in the diet with 9.35 g/100 g of lipid, which is the optimal dietary lipid in the experiment and can be applied in developing the optimal diet for juvenile GIFT tilapia to promote the development of tilapia aquaculture industry.

Practical Applications: It is found that the diets with lipid supplementation can significantly influence the expression of PPARα, leptin, and adiponectin genes of juvenile GIFT tilapia and recognized that dietary lipid supplementation can significantly affect their growth performance, fatty acids, and relative enzymes. The greatest effect is found in the diet with 9.35 g/100 g of lipid, which is the optimal dietary lipid in the experiment. The findings can be applied in developing the optimal diet for juvenile GIFT tilapia, which will promote considerably the development of tilapia aquaculture industry.
Preparation and characterization of an environmentally friendly compound chemical agent for road dust suppression in a copper mine
Authors: Huang Zhian , Zhao Wei , Yang Zhijun , Zhang Jun , Gao Yukun , Shao Zhenlu , Zhang Yinghua , Zhang Linghua , Wen Shiyi
Published: October 2020

The dust on mine road surfaces endangers the health of workers, causing mechanical damage to equipment, and polluting the environment. Existing dust inhibitors have low dust suppression efficiency, weak persistence, are expensive. In this study, an environmentally friendly and efficient compound chemical dust suppressant for transportation road dust in a copper mine was developed. On the basis of testing the physical and chemical properties of the dust samples, the best ratio of dust inhibitor was determined using an orthogonal experiment with sodium polyacrylate, sodium carbonate, polyethylene glycol, and alkyl polyglycoside as raw materials, and using anti‐evaporation, hygroscopicity, permeability, pH, and viscosity as the evaluation indexes. Scanning electron micrograph (SEM) and dust removal simulation experiments were conducted. The results show that the optimum formulation of the dust suppressor is 0.08% sodium polyacrylate, 15% sodium carbonate, 2% polyethylene glycol, and 0.15% alkyl glycoside. The SEM experimental results show that the dust samples sprayed with dust suppressor form a network structure from a microcosmic perspective that is conducive to dust suppression. The dust removal efficiency of the whole dust in the laboratory was 96.89% and that of the respirable dust was 86.24%, which proves that the dust suppressor has a good dedusting effect.
Familial neonatal seizures caused by the Kv7.3 selectivity filter mutation T313I
Authors: Maghera Jasmine , Li Jingru , Lamothe Shawn M. , Braun Marvin , Appendino Juan P. , Au P. Y. Billie , Kurata Harley T.
Published: October 2020

Objective

A spectrum of seizure disorders is linked to mutations in Kv7.2 and Kv7.3 channels. Linking functional effects of identified mutations to their clinical presentation requires ongoing characterization of newly identified variants. In this study, we identified and functionally characterized a previously unreported mutation in the selectivity filter of Kv7.3.

Methods

Next‐generation sequencing was used to identify the Kv7.3[T313I] mutation in a family affected by neonatal seizures. Electrophysiological approaches were used to characterize the functional effects of this mutation on ion channels expressed in Xenopus laevis oocytes.

Results

Substitution of residue 313 from threonine to isoleucine (Kv7.3[T313I]) likely disrupts a critical intersubunit hydrogen bond. Characterization of the mutation in homomeric Kv7.3 channels demonstrated a total loss of channel function. Assembly in heteromeric channels (with Kv7.2) leads to modest suppression of total current when expressed in Xenopus laevis oocytes. Using a Kv7 activator with distinct effects on homomeric Kv7.2 vs heteromeric Kv7.2/Kv7.3 channels, we demonstrated that assembly of Kv7.2 and Kv7.3[T313I] generates functional channels.

Significance

Biophysical and clinical effects of the T313I mutation are consistent with Kv7.3 mutations previously identified in cases of pharmacoresponsive self‐limiting neonatal epilepsy. These findings expand our description of functionally characterized Kv7 channel variants and report new methods to distinguish molecular mechanisms of channel mutations.
A Meta-analysis of Ecotoxicological Hazard Data for Nanoplastics in Marine and Freshwater Systems
Authors: Yang Tong , Nowack Bernd
Published: October 2020

There is emerging concern about the potential health and environmental impacts of nanoplastics in the environment. Information on exposure has been lacking, but a growing amount of ecotoxicological hazard data is now available, allowing a hazard assessment to be conducted for nanoplastics in freshwater and marine systems. Based on a critical evaluation of published studies and the construction of probabilistic species sensitivity distributions (PSSDs), we present a comprehensive, state-of-the-art understanding of nanoplastic ecotoxicity. Different freshwater and marine datasets were constructed based on different data quality levels, and for each of the datasets, PSSDs were built for both mass- and particle number-based concentrations. Predicted no-effect concentrations (PNECs) were then extracted from the PSSDs. We report PNECs at 99 and 72 μg L–1, respectively, for the freshwater and marine dataset after the removal of data measured in the presence of sodium azide (NaN3), which is considered to be a major interfering factor in the ecotoxicity testing of nanoplastics. By comparing the PNECs, we found that nanoplastics are less toxic than microplastics and many engineered nanomaterials. In addition, the effects of size and polymer type on toxicity were also statistically tested. We observed no significant difference in ecotoxicity for nanoplastics of different sizes, whereas polystyrene nanoplastics were significantly more toxic than all other tested nanoplastics. In conclusion, the results we present provide a comprehensive description of nanoplastic ecotoxicity based on current knowledge. The results constitute a fundamental step toward an environmental risk assessment for nanoplastics in freshwater and marine systems. Environ Toxicol Chem 2020;39:2588–2598. © 2020 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.