bluuebunny/crossref_metadata_2025 huggingface dataset:
Facet‐Dependent Oxidative Strong Metal‐Support Interactions of Palladium–TiO2 Determined by In Situ Transmission Electron Microscopy
Authors: Tang Min , Li Songda , Chen Shiyuan , Ou Yang , Hiroaki Matsumoto , Yuan Wentao , Zhu Beien , Yang Hangsheng , Gao Yi , Zhang Ze , Wang Yong
Published: August 2021

The strong metal‐support interaction (SMSI) is widely used in supported metal catalysts and extensive studies have been performed to understand it. Although considerable progress has been achieved, the surface structure of the support, as an important influencing factor, is usually ignored. We report a facet‐dependent SMSI of Pd‐TiO2 in oxygen by using in situ atmospheric pressure TEM. Pd NPs supported on TiO2 (101) and (100) surfaces showed encapsulation. In contrast, no such cover layer was observed in Pd‐TiO2 (001) catalyst under the same conditions. This facet‐dependent SMSI, which originates from the variable surface structure of the support, was demonstrated in a probe reaction of methane combustion catalyzed by Pd‐TiO2. Our discovery of the oxidative facet‐dependent SMSI gives direct evidence of the important role of the support surface structure in SMSI and provides a new way to tune the interaction between metal NPs and the support as well as catalytic activity.
Catalytic Asymmetric Darzens‐Type Epoxidation of Diazoesters: Highly Enantioselective Synthesis of Trisubstituted Epoxides
Authors: Nam Dong Guk , Shim Su Yong , Jeong Hye‐Min , Ryu Do Hyun
Published: August 2021

Highly enantioselective Darzens‐type epoxidation of diazoesters with glyoxal derivatives was accomplished using a chiral boron–Lewis acid catalyst, which facilitated asymmetric synthesis of trisubstituted α,β‐epoxy esters. In the presence of a chiral oxazaborolidinium ion catalyst, the reaction proceeded in high yield (up to 99 %) with excellent enantio‐ and diastereoselectivity (up to >99 % ee and >20:1 dr, respectively). The synthetic potential of this method was illustrated by conversion of the products to various compounds such as epoxy γ‐butyrolactone, tertiary β‐hydroxy ketone and epoxy diester.
Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase
Authors: Chen Xiabin , Deng Xingyu , Zhang Yun , Wu Yanan , Yang Kang , Li Qiang , Wang Jiye , Yao Weixuan , Tong Junsen , Xie Tian , Hou Shurong , Yao Jianzhuang
Published: August 2021

Benzoylecgonine (BZE) is the major toxic metabolite of cocaine and is responsible for the long‐term cocaine‐induced toxicity owing to its long residence time in humans. BZE is also the main contaminant following cocaine consumption. Here, we identified the bacterial cocaine esterase (CocE) as a BZE‐metabolizing enzyme (BZEase), which can degrade BZE into biological inactive metabolites (ecgonine and benzoic acid). CocE was redesigned by a reactant‐state‐based enzyme design theory. An encouraging mutant denoted as BZEase2, presented a >400‐fold improved catalytic efficiency against BZE compared with wild‐type (WT) CocE. In vivo, a single dose of BZEase2 (1 mg kg−1, IV) could eliminate nearly all BZE within only two minutes, suggesting the enzyme has the potential for cocaine overdose treatment and BZE elimination in the environment by accelerating BZE clearance. The crystal structure of a designed BZEase was also determined.
Global finite‐time stabilization of a class of perturbed planar systems with actuator saturation and disturbances
Authors: Su Yuxin , Zheng Chunhong , Mercorelli Paolo
Published: August 2021

This paper addresses the problem of global finite‐time stabilization for a class of planar nonlinear systems subject to actuator saturation and bounded disturbances. A singularity‐free integral sliding mode surface is first developed by geometric homogeneity technique and then a simple saturated robust control is proposed. Global finite‐time stabilization is proved with geometric homogeneity technique and Lyapunov's stability theory. The conditions on control gains ensuring global finite‐time stability and avoidance of actuator saturation are explicitly given. Advantages of the proposed control include simple and intuitive structure, global finite‐time stability featuring faster transient and higher steady‐state stabilization, and the ability to avoid actuator saturation by selecting the control gains a priori. Simulations show the improved performance of the proposed approach.
Rebuilding relationships on coral reefs: Coral bleaching knowledge‐sharing to aid adaptation planning for reef users
Authors: Ainsworth Tracy D. , Leggat William , Silliman Brian R. , Lantz Coulson A. , Bergman Jessica L. , Fordyce Alexander J. , Page Charlotte E. , Renzi Juliana J. , Morton Joseph , Eakin C. Mark , Heron Scott F.
Published: August 2021

Coral bleaching has impacted reefs worldwide and the predictions of near‐annual bleaching from over two decades ago have now been realized. While technology currently provides the means to predict large‐scale bleaching, predicting reef‐scale and within‐reef patterns in real‐time for all reef users is limited. In 2020, heat stress across the Great Barrier Reef underpinned the region's third bleaching event in 5 years. Here we review the heterogeneous emergence of bleaching across Heron Island reef habitats and discuss the oceanographic drivers that underpinned variable bleaching emergence. We do so as a case study to highlight how reef end‐user groups who engage with coral reefs in different ways require targeted guidance for how, and when, to alter their use of coral reefs in response to bleaching events. Our case study of coral bleaching emergence demonstrates how within‐reef scale nowcasting of coral bleaching could aid the development of accessible and equitable bleaching response strategies on coral reefs. Also see the video abstract here: https://youtu.be/N9Tgb8N-vN0
New Pyrazine Conjugates: Synthesis, Computational Studies, and Antiviral Properties against SARS‐CoV‐2
Authors: Seliem Israa A. , Girgis Adel S. , Moatasim Yassmin , Kandeil Ahmed , Mostafa Ahmed , Ali Mohamed A. , Bekheit Mohamed S. , Panda Siva S.
Published: August 2021

Currently, limited therapeutic options are available for severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2). We have developed a set of pyrazine‐based small molecules. A series of pyrazine conjugates was synthesized by microwave‐assisted click chemistry and benzotriazole chemistry. All the synthesized conjugates were screened against the SAR‐CoV‐2 virus and their cytotoxicity was determined. Computational studies were carried out to validate the biological data. Some of the pyrazine‐triazole conjugates (5 d–g) and (S)‐N‐(1‐(benzo[d]thiazol‐2‐yl)‐2‐phenylethyl)pyrazine‐2‐carboxamide 12 i show significant potency against SARS‐CoV‐2 among the synthesized conjugates. The selectivity index (SI) of potent conjugates indicates significant efficacy compared to the reference drug (Favipiravir).
The impact of shape uncertainty on aortic‐valve pressure‐drop computations
Authors: Hoeijmakers M. J. M. M. , Huberts W. , Rutten M. C. M. , van de Vosse F. N.
Published: August 2021

Patient‐specific image‐based computational fluid dynamics (CFD) is widely adopted in the cardiovascular research community to study hemodynamics, and will become increasingly important for personalized medicine. However, segmentation of the flow domain is not exact and geometric uncertainty can be expected which propagates through the computational model, leading to uncertainty in model output. Seventy‐four aortic‐valves were segmented from computed tomography images at peak systole. Statistical shape modeling was used to obtain an approximate parameterization of the original segmentations. This parameterization was used to train a meta‐model that related the first five shape mode coefficients and flowrate to the CFD‐computed transvalvular pressure‐drop. Consequently, shape uncertainty in the order of 0.5 and 1.0 mm was emulated by introducing uncertainty in the shape mode coefficients. A global variance‐based sensitivity analysis was performed to quantify output uncertainty and to determine relative importance of the shape modes. The first shape mode captured the opening/closing behavior of the valve and uncertainty in this mode coefficient accounted for more than 90% of the output variance. However, sensitivity to shape uncertainty is patient‐specific, and the relative importance of the fourth shape mode coefficient tended to increase with increases in valvular area. These results show that geometric uncertainty in the order of image voxel size may lead to substantial uncertainty in CFD‐computed transvalvular pressure‐drops. Moreover, this illustrates that it is essential to assess the impact of geometric uncertainty on model output, and that this should be thoroughly quantified for applications that wish to use image‐based CFD models.
How to Predict Excited State Geometry by Using Empirical Parameters Obtained from Franck‐Condon Analysis of Optical Spectrum
Authors: Köse Muhammet Erkan
Published: August 2021

Excited state geometries of molecules can be calculated with highly reliable wavefunction schemes. Most of such schemes, however, are applicable to small molecules and can hardly be viewed as error‐free for excited state geometries. In this study, a theoretical approach is presented in which the excited state geometries of molecules can be predicted by using vibrationally resolved experimental absorption spectrum in combination with the theoretical modelling of vibrational pattern based on Franck‐Condon approximation. Huang‐Rhys factors have been empirically determined and used as input for revealing the structural changes occurring between the ground and the excited state geometries upon photoexcitation. Naphthalene molecule has been chosen as a test case to show the robustness of the proposed theoretical approach. Predicted 1B2u excited state geometry of the naphthalene has similar but slightly different bond length alternation pattern when compared with the geometries calculated with CIS, B3LYP, and CC2 methods. Excited state geometries of perylene and pyrene molecules are also determined with the presented theoretical approach. This powerful method can be applied to other molecules and specifically to relatively large molecules rather easily as long as vibrationally resolved experimental spectra are available to use.
Group 14 Central Atoms and Halogen Bonding in Different Dielectric Environments: How Germanium Outperforms Silicon
Authors: Donald Kelling J. , Prasad Supreeth , Wilson Kaitlin
Published: August 2021

The nature of halogen bonding under different dielectric conditions remains underexplored, especially for inorganic systems. The structural and energetic properties of model halogen bonded complexes (R3M−I—NH3 for R=H and F, and M=C, Si, and Ge) are examined computationally for relative permittivities between 1 and 109 using an implicit solvent model. We confirm and assess the exceptionally high maximum potentials at the sigma hole on I (Vs,max) in F3Ge−I relative to cases where M=C or Si. In particular, Ge far outperforms Si in mediating inductive effects. Linear relationships, typically with R2 >0.97, are identified between Vs,max, the full point charge on I in R3M−I, and the interaction energy, and optimized I—N distance in the complexes. An anomalous trend is identified in which, for each M, F3M−I—NH3 becomes less stable as the optimized I—N distance gets shorter in different dielectric environments; it is explained using the F−I—NH3 complex as a reference.
Dynamic selection for forage quality and quantity in response to phenology and insects in an Arctic ungulate
Authors: Johnson Heather E. , Golden Trevor S. , Adams Layne G. , Gustine David D. , Lenart Elizabeth A. , Barboza Perry S.
Published: August 2021

Spatiotemporal variation in forage is a primary driver of ungulate behavior, yet little is known about the nutritional components they select, and how selection varies across the growing season with changes in forage quality and quantity. We addressed these uncertainties in barren‐ground caribou (Rangifer tarandus), which experience their most important foraging opportunities during the short Arctic summer. Recent declines in Arctic caribou populations have raised concerns about the influence of climate change on summer foraging opportunities, given shifting vegetation conditions and insect harassment, and their potential effects on caribou body condition and demography. We examined Arctic caribou selection of summer forage by pairing locations from females in the Central Arctic Herd of Alaska with spatiotemporal predictions of biomass, digestible nitrogen (DN), and digestible energy (DE). We then assessed selection for these nutritional components across the growing season at landscape and patch scales, and determined whether foraging opportunities were constrained by insect harassment. During early summer, at the landscape scale, caribou selected for intermediate biomass and high DN and DE, following expectations of the forage maturation hypothesis. At the patch scale, however, caribou selected for high values of all forage components, particularly DN, suggesting that protein may be limiting. During late summer, after DN declined below the threshold for protein gain, caribou exhibited a switch at both spatial scales, selecting for higher biomass, likely enabling mass and fat deposition. Mosquito activity strongly altered caribou selection of forage and increased their movement rates, while oestrid fly activity had little influence. Our results demonstrate that early and late summer periods afford Arctic caribou distinct foraging opportunities, as they prioritize quality earlier in the summer and quantity later. Climate change may further constrain caribou access to DN as earlier, warmer Arctic summers may be associated with reduced DN and increased mosquito harassment.
Which factors determine the long‐term effect of poor early‐life nutrition? A meta‐analytic review
Authors: Almeida L. Zoe , Hovick Stephen M. , Ludsin Stuart A. , Marschall Elizabeth A.
Published: August 2021

Early‐life conditions can have long‐lasting effects (experiential legacies) on an individual's performance. Experiential legacies are an important source of variation among mature individuals because responses to early‐life environments vary widely. Yet, the factors influencing the magnitudes and directions of phenotypic responses to experiential legacies are poorly understood, hindering our ability to predict adult phenotypes and population‐level consequences of environmental stressors. To better understand these issues, we examined how experiential legacies varied with the type of phenotypic response (e.g., reproduction, longevity), characteristics of the individual, and characteristics of the stressful conditions imposed. We conducted a meta‐analytic review (nspecies = 65, nstudies = 81), examining experiential legacies of early‐life nutritional restriction. We found generally consistent negative or neutral impacts of early nutritional stress on later‐life phenotypes, indicating that positive responses to early nutritional restriction may be rare among organisms. Our results also demonstrated differences in how experiential legacies were expressed in specific dimensions of an individual's phenotype; for example, magnitude and direction differed among responses in development rate (weak negative response), offspring quality and quantity (strong negative), and longevity (neutral response). We also found that the harsher the early‐life nutritional stress, the stronger the negative nutritional legacy. Our results emphasize the complicated interactions among a suite of phenotypic responses in determining individual performance. Given the potential for individual performance to inform the demography and dynamics of populations, we offer avenues for future research that can improve our understanding of how experiential legacies of nutrition or other early‐life conditions affect populations.
Mesopredator frugivory has no effect on seed viability and emergence under experimental conditions
Authors: Draper John P. , Atwood Trisha B. , Beckman Noelle G. , Kettenring Karin M. , Young Julie K.
Published: August 2021

Members of the orderCarnivoraare a unique and important seed disperser who consume and deposit undamaged seeds while providing regular long‐distance seed dispersal opportunities. Some members ofCarnivora, such as coyotes (Canis latrans), are undergoing range expansions which may help the plant species they consume colonize new locations or replace dispersal services provided by recently extirpated species. In this study, we evaluated aspects of the seed dispersal effectiveness of coyotes and gut passage time to determine the potential dispersal distances for three commonly consumed and commonly occurring plant species (Amelanchier alnifolia, Celtis ehrenbergiana, andJuniperus osteosperma). We also investigated the potential effects of secondary dispersal of seeds away from scats by comparing seedling emergence from whole scats to those where seeds were first removed from scats. We found that seeds generally took between 4 and 24 h to pass through the digestive tract of coyotes, which could result in regular seed dispersal up to 7 km. Gut passage through coyotes had no effect on seed viability or emergence for any of the three plant species, including that gut passage forA. alnifoliaandJ. osteospermadoes not replace cold stratification for breaking physiological dormancy. By simulating secondary dispersal, we found that 22% (±8.2%) moreC. ehrenbergianaseedlings emerged when seeds were removed from scats and those seedlings emerged 7 d earlier (±5 d) compared to seeds that remained in the coyote scat. Coyotes are effective seed dispersers, with the potential for regular long‐distance dispersal services and for providing opportunities for secondary seed dispersal, which could aid in climate migration or serve to replace extirpated dispersal mutualists.
Assessment of insulin resistance in patients with primary hyperparathyroidism before and after Parathyroidectomy
Authors: Nikooei Noghani Soudabeh , Milani Nasrin , Afkhamizadeh Mozhgan , Kabiri Mona , Bonakdaran Shokoufeh , Vazifeh‐Mostaan Leila , Asadi Mahdi , Morovatdar Negar , Mohebbi Masoud
Published: August 2021

Background

Primary hyperparathyroidism (PHPT) can lead to renal and skeletal disorders, as well as insulin resistance and impaired glucose metabolism. The current study aimed to assess the effects of parathyroidectomy on insulin resistance in patients with PHPT.

Materials and Methods

The present study was conducted on 65 patients with PHPT and indications for parathyroidectomy who were referred to the endocrinology clinics of Mashhad University of Medical Sciences. Thereafter, the demographic characteristics of the patients were recorded. Blood tests, including haemoglobin A1c (HbA1c), fasting blood glucose (FBG) and insulin levels, were assessed one week before and three months after the surgery. The insulin resistance score (HOMA‐IR) was calculated and compared using the relevant formula.

Results

A total of 65 participants with a mean age of 45.44 ± 9.59 years were included in the current study. In one‐month postoperative tests, mean scores of FBG (p < .05), insulin level (p < .05) and HbA1c (p < .05) were significantly reduced. Moreover, the HOMA‐IR index decreased in 51 patients after the surgery.

Conclusion

According to our findings, parathyroidectomy can be effective in the reduction of insulin resistance and corresponding complications in patients with PHPT in the present short‐term study. However, it has yet to be confirmed as a treatment method for insulin resistance in these patients. Future long‐term studies are required to be done to investigate the effect of parathyroidectomy on insulin resistance.
Seizures induced in electroconvulsive therapy as a human epilepsy model: A comparative case study
Authors: Pottkämper Julia C. M. , Verdijk Joey P. A. J. , Hofmeijer Jeannette , van Waarde Jeroen A. , van Putten Michel J. A. M.
Published: August 2021

Objective

Standardized investigation of epileptic seizures and the postictal state may contribute to a better understanding of ictal and postictal phenomena. This comparative case study aims to assess whether electrically induced seizures in electroconvulsive therapy (ECT) show sufficient similarities with spontaneous seizures to serve as a human epilepsy model.

Methods

We compared six EEG recordings, three ECT‐induced seizures and three generalized tonic‐clonic seizures, using quantitative electroencephalography (EEG) analyses. EEG recordings during and after ECT sessions (under general anesthesia and muscle paralysis) were collected prospectively, whereas epilepsy data were selected retrospectively. Time‐frequency representations, dominant ictal frequencies, and postictal alpha‐delta ratios were calculated.

Results

In all EEG recordings, a decrease in dominant ictal frequency was observed, as well as postictal suppression. Postictal alpha‐delta ratio indicated the same trend for all: a gradual increase from predominantly delta to alpha frequencies on timescales of hours after the seizure. Postictal spectral representation was similar. Muscle artifacts were absent in ECT‐induced seizures and present in spontaneous seizures. Ictal amplitude was higher in epileptic than in ECT‐induced seizures. Temporospectral ictal dynamics varied slightly between groups.

Significance

We show that ictal and postictal characteristics in ECT and patients with generalized tonic‐clonic seizures are essentially similar. ECT‐induced seizures may be used to investigate aspects of ictal and postictal states in a highly predictable manner and well‐controlled environment. This suggests that clinical and electrophysiological observations during ECT may be extrapolated to epilepsy with generalized tonic‐clonic seizures.
Measurable Levels of Short-Chain Chlorinated Paraffins in Western Hudson Bay Fishes but Limited Biomagnification from Fish to Ringed Seals
Authors: Facciola Nadia , Pedro Sara , Houde Magali , Fisk Aaron T. , Ferguson Steven H. , Steer Helena , Muir Derek C. G. , McKinney Melissa A.
Published: August 2021

We investigated short-chain (C10–13) chlorinated paraffins (SCCP) in an Arctic marine food web. In zooplankton, fishes, and ringed seals from western Hudson Bay, Canada, SCCP concentrations ranged from 38.3 to 687 ng g–1 lipid weight. Monte Carlo–simulated trophic-adjusted biomagnification factors of individual SCCP congeners ranged from 0.07 to 0.55 for small pelagic fishes to seals. Despite relatively high concentrations in fishes, biomagnification of SCCPs within this food web appears limited. Environ Toxicol Chem 2021;40:2990–2999. © 2021 SETAC
Mechanochemical redox synthesis of interstitial mesoporous CoxFe1‐xOy catalyst for CO2 hydrogenation
Authors: Meng Minshan , Shu Yuan , Niu Qiang , Zhang Pengfei
Published: August 2021

The study on CoOx‐FeOx catalysts gives a profound insight into the synthesis and the application of multitransition metal oxide catalysts. A facile and solid‐state mechanochemical redox strategy was developed to obtain CoxFe1‐xOy from CoCl2·6H2O and KMnO4 with simply two‐round of ball milling (BM) operation. The process was witnessed by the Brunauer—Emmett—Teller (BET), X‐ray diffraction (XRD), scanning transmission electron microscope (STEM), inductively coupled plasma emission spectrometry (ICP), and X‐ray photoelectron spectroscopy (XPS) characterization, confirming the contribution of the mechanical force and frictional heating in the occurrence of redox reaction, the dispersion of metal species, and the generation of interstitial pores. Importantly, as‐made CoxFe1‐xOy‐BM sample possessed abundant porosity, and the specific surface area of it (131 m2 g−1) was much higher than that of coprecipitation route (49 m2 g−1) and sol‐gel route (33 m2 g−1). The as‐prepared catalysts CoxFe1‐xOy‐BM exhibited excellent performance in reverse water gas shift reaction, reaching 43% of CO2 conversion rate at 500°C with high selectivity (over 80%) during the whole temperature range, while the conversion for both control samples were below 20%. Moreover, continuous 120 hr CO2 hydrogenation at 500°C presented the enhancement of thermal stability and the possible change of active sites. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.
COVID‐19 calls for health systems strengthening in Africa: A case of Nigeria
Authors: Elebesunu Emmanuel Ebuka , Oke Gabriel Ilerioluwa , Adebisi Yusuff Adebayo , Nsofor Ifeanyi McWilliams
Published: August 2021

The COVID‐19 pandemic has proven the need for countries worldwide to implement strategies that promote health systems strengthening and ensure epidemic preparedness. Many African countries are burdened by fragile healthcare systems, hence, this paper emphasises the need for African policymakers to improve healthcare quality in their countries. Through a brief review of various online literatures concerning health systems strengthening in Africa, this paper focuses on the nature of healthcare in Nigeria amidst the COVID‐19 pandemic. The major stress areas include COVID‐19 testing capacity, health workforce, infection prevention and control, health information and surveillance systems, health insurance, public‐private partnerships, and governance. The COVID‐19 pandemic has amplified several challenges ravaging Africa's already fragile healthcare systems, leaving the health sectors of most African countries ill‐prepared to deal with the pandemic. If Nigeria and many other African countries had invested sufficiently in strengthening their healthcare systems prior to COVID‐19, their pandemic response efforts would have been more effective. Health systems strengthening is necessary to ensure steady progress toward universal health coverage and global health security. Through health systems strengthening, Nigeria and other African countries can greatly improve their infection prevention and control measures.
Horizontal pressure gradient and Soret effects on the onset of thermosolutal porous convection
Authors: Hemanthkumar C. , Shivakumara I. S. , Shankar B. M. , Pallavi G.
Published: August 2021

The intricacies of a constant horizontal pressure gradient on the onset of Soret‐driven thermosolutal porous convection have been investigated. The resulting generalized eigenvalue problem is solved numerically using the Galerkin method and also the condition for the onset is obtained in a closed‐form using a single‐term Galerkin method with trigonometric trial function. The results obtained from both methods are found to be in good agreement. The effect of increasing horizontal pressure gradient, Lewis number, Soret parameter, and the Vadasz number is to hasten, while the increase in the solute Darcy–Rayleigh number is to delay the onset of oscillatory convection. The presence of the horizontal pressure gradient is found to decrease the threshold value of solute Darcy–Rayleigh number beyond which the instability sets in as oscillatory. Moreover, the horizontal pressure gradient imparts a conflicting behavior on the critical wave number and critical frequency of oscillations. The numerical results attained under the limiting cases are shown to be in excellent agreement with the published ones.
Steady magnetohydrodynamic Poiseuille flow of two immiscible non‐Newtonian and Newtonian fluids in a horizontal channel with Ohmic heating
Authors: Gbadeyan Abiodun J. , Ahmed Lukman O.
Published: August 2021

In this paper, an analytical study has been carried out on a steady magnetohydrodynamics (MHD) Poiseuille flow of two immiscible fluids in a horizontal channel with ohmic heating in the presence of an applied magnetic field. The channel is divided into two sections, Region I and Region II, respectively. Region I contains an electrically conducting, third grade, non‐Newtonian fluid while Region II is a Newtonian fluid. The regular Perturbation series method is used to transform the coupled nonlinear differential equations governing the flow into a system of linear ordinary differential equations in both fluid regions. Suitable interface matching conditions were chosen to obtain separate solutions for each fluid in both regions and the results were displayed graphically for various values of physical parameters, such as pressure gradient, suction parameter, Hartmann number, Prandtl number, viscosity, and conductivity ratios to show their effects on the flow. The effect of skin friction and Nusselt number was shown with the aid of tables. The results obtained among other findings clearly shows that as the value of the magnetic parameter increases, the velocity and temperature of the fluid decrease.
A phase 1 double‐blind, placebo‐controlled study of zuranolone (SAGE‐217) in a phase advance model of insomnia in healthy adults
Authors: Bullock Amy , Gunduz‐Bruce Handan , Zammit Gary K. , Qin Min , Li Haihong , Sankoh Abdul J. , Silber Christopher , Kanes Stephen J. , Jonas Jeffrey , Doherty James
Published: August 2021

Objective

To evaluate single zuranolone (SAGE‐217) 30 or 45 mg doses in a 5‐h phase advance insomnia model.

Methods

In this double‐blind, three‐way crossover study, healthy adults received placebo (n = 41), zuranolone 30 mg (n = 44), and zuranolone 45 mg (n = 42) across three treatment periods. Sleep was assessed by polysomnography and a postsleep questionnaire. Next‐day residual effects and safety/tolerability were evaluated.

Results

Compared with placebo, zuranolone resulted in significant improvements in median sleep efficiency (30 mg, 84.6%; 45 mg, 87.6%; placebo, 72.9%; p < 0.001 for both doses), wake after sleep onset (WASO; 30 mg, 55.0 min; 45 mg, 42.5 min; placebo, 113.0 min; p < 0.001 for both doses), duration of awakenings (30 mg, 4.2 min, p < 0.001; 45 mg, 3.7 min, p = 0.001; placebo, 7.4 min), and total sleep time (TST; 30 mg, 406.3 min; 45 mg, 420.3 min; placebo, 350.0 min; p < 0.001 for both doses). Subjective endpoints (WASO, TST, sleep latency, sleep quality) also improved relative to placebo. Zuranolone was generally well tolerated, and the most common adverse events (≥2 participants, any period) were headache and fatigue.

Conclusion

Zuranolone improved sleep measures versus placebo in a phase advance model of insomnia in healthy adults, supporting future studies in patients with insomnia disorder.
The stable isotopes of natural waters at the Marcell Experimental Forest
Authors: Stelling Jonathan M. , Sebestyen Stephen D. , Griffiths Natalie A. , Mitchell Carl P. J. , Green Mark B.
Published: August 2021

We present a new data set from the Marcell Experimental Forest (MEF) that compiles water isotope measurements from multiple research catchments, some of which have been studied since the 1960s. The MEF is located in northern Minnesota, USA, and is home to heavily studied and monitored forests, streams, bogs, and fens. Peat‐forming systems (bogs and fens) are an important component of the MEF landscape and have a profound impact on the water cycle in these catchments. Within the last decade, analysis of stable isotopes of water (expressed as δD and δ18O) has been implemented to characterize the different components of the water budget, and to allow researchers to look at catchment and peatland‐specific hydrologic effects in the watershed. This δD and δ18O data set of natural waters from MEF catchments is primarily composed of measurements from three peatlands (S1, S2, S6) during an 11‐year period. More recently collection and analysis were expanded to also include samples from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) project in the S1 bog, peatlands S3, S4, S5, as well as nearby lakes. We establish a local meteoric water line by analyzing the isotopic composition of precipitation, which fills a void in regional meteoric water lines for Minnesota. Furthermore, we establish baseline isotopic composition for bog outlet streams, bog porewater, aquifer groundwater, overland flow, subsurface stormflow, and snowpack, as well as runoff from the SPRUCE experimental chambers. These data are publicly available and will be expanded upon in the future.
Compensated non‐linear root water uptake model and identification of soil hydraulic and root water uptake parameters*
Authors: Sonkar Ickkshaanshu , Sudesan Soorya , Suryanarayana Rao Kotnoor Hari Prasad
Published: August 2021

The improvement in soil and root parameterization is a key to enhance the root zone moisture depletion pattern prediction capability. In the present study, a new compensated non‐linear root water uptake (RWU) model is developed to analyse moisture flow under various crop growth and soil conditions. This is achieved by introducing a water stress index in the calibrated non‐linear RWU model that takes care of RWU compensation. The present study also deals with the identifiability of soil hydraulic and RWU parameters using soil moisture and percolation data with an inverse approach. For parameter estimation, the numerical model has been coupled with a genetic algorithm‐based optimizer. The efficacy of the coupled simulation‐optimization model is tested for wheat (Triticum aestivum) crops grown in loamy, sandy clay loam, and sandy loam soil. The study shows that the RWU is less sensitive to soil moisture dynamics in sandy loam soil due to predominant vertical flow. Further, these parameters were estimated for four major Indian crops, that is, berseem (Trifolium alexandrinum), wheat, maize (Zea mays), and pearl millet (Pennisetum glaucum). In soils of higher hydraulic conductivity, the inverse approach was found to be ill‐posed in estimating RWU and soil parameters using only soil moisture information. Hence, for such soils, both soil moisture and percolation data are necessary for estimating these parameters uniquely.
An assessment of the suitability of the Glucometer 4 blood glucose system for near‐patient testing
Authors: Powell MP
Published: August 2021

The performance of a new system for near‐patient monitoring of blood glucose levels based on the reference hexokinase/glucose‐6‐phosphate dehydrogenase method was evaluated in a routine out‐patient diabetes clinic. The system includes features designed to overcome operator dependency of results. Within‐batch precision was 1.1‐4.2% coefficient of variation, while between‐batch coefficients of variation of 2.6‐6.7% were achieved. The new system was assessed to be suitable for use by nurses and patients.
Risk of SARS‐CoV‐2 Infection and COVID‐19 Severity Associated With Exposure to Nonsteroidal Anti‐Inflammatory Drugs: Systematic Review and Meta‐Analysis
Authors: Prada Luísa , D. Santos Catarina , Baião Rita A. , Costa João , Ferreira Joaquim J. , Caldeira Daniel
Published: August 2021

Nonsteroidal anti‐inflammatory drugs (NSAIDs) were thought to increase the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) virus entrance into cells. Hence, it was suggested in the media that NSAIDs could lead to a higher risk of infection and/or disease severity. To determine the existence or absence of this association, we aimed to systematically evaluate the risk of SARS‐CoV‐2 infection and mortality and the risk of severe coronavirus disease 2019 (COVID‐19) associated with previous exposure to NSAIDs.

MEDLINE, Cochrane Central Register of Controlled Trials (CENTRAL), and EMBASE were searched in February 2021 for controlled studies. The results were calculated through random‐effect meta‐analyses and reported in terms of odds ratios (ORs) with 95% confidence intervals (CIs). Heterogeneity was assessed with I2 test.

Eleven studies were included, comprising a total of 683 715 patients. NSAID exposure did not increase the risk of having a positive test for SARS‐CoV‐2 infection (OR, 0.97; 95%CI, 0.85‐1.11, I2 = 24%; 5 studies). The exposure to NSAIDs did not increase the risk of severe/critical COVID‐19 disease (OR, 0.92; 95%CI, 0.80‐1.05; I2 = 0%; 5 studies) nor all‐cause mortality among patients with COVID‐19 (OR, 0.86; 95%CI, 0.75‐0.99; I2 = 14%, 4 studies).

Our data did not suggest that exposure to NSAIDs increases the risk of having SARS‐CoV‐2 infection or increases the severity of COVID‐19 disease. Also, the fragility of the studies included precludes definite conclusions and highlights the need for further robust data.
Integrated Cardiopulmonary MRI Assessment of Pulmonary Hypertension
Authors: Saunders Laura C. , Hughes Paul J. C. , Alabed Samer , Capener David J. , Marshall Helen , Vogel‐Claussen Jens , van Beek Edwin J. R. , Kiely David G. , Swift Andrew J. , Wild Jim M.
Published: August 2021

Pulmonary hypertension (PH) is a heterogeneous condition that can affect the lung parenchyma, pulmonary vasculature, and cardiac chambers. Accurate diagnosis often requires multiple complex assessments of the cardiac and pulmonary systems. MRI is able to comprehensively assess cardiac structure and function, as well as lung parenchymal, pulmonary vascular, and functional lung changes. Therefore, MRI has the potential to provide an integrated functional and structural assessment of the cardiopulmonary system in a single exam. Cardiac MRI is used in the assessment of PH in most large PH centers, whereas lung MRI is an emerging technique in patients with PH. This article reviews the current literature on cardiopulmonary MRI in PH, including cine MRI, black‐blood imaging, late gadolinium enhancement, T1 mapping, myocardial strain analysis, contrast‐enhanced perfusion imaging and contrast‐enhanced MR angiography, and hyperpolarized gas functional lung imaging. This article also highlights recent developments in this field and areas of interest for future research including cardiac MRI‐based diagnostic models, machine learning in cardiac MRI, oxygen‐enhanced 1H imaging, contrast‐free 1H perfusion and ventilation imaging, contrast‐free angiography and UTE imaging.

Evidence Level

5

Technical Efficacy

Stage 3
Development of a clinical practice guideline for weaning and discontinuing parenteral nutrition in hospitalized children as part of a central line–associated bloodstream infection–focused quality improvement initiative
Authors: Pulido Amber V. , Kellogg Kimberly , Hunt Kathryn , Davis Cheryl
Published: August 2021

Background

Overprescribing of parenteral nutrition (PN) increases costs and risks to patients, including from central line–associated bloodstream infection (CLABSI). With CLABSI reduction in mind, our children's hospital began an iterative quality improvement effort to decrease PN utilization by first ensuring appropriate initiation and then defining and ensuring appropriate discontinuation.

Methods

Education was launched along with audits to evaluate for appropriate PN indications. Next, a literature review was conducted to guide the development of an algorithm to appropriately wean and discontinue PN. Lastly, all PN discontinuations were audited for agreement with the new guideline. Retrospectively, monthly PN utilization index (orders per patient‐day) was plotted on a statistical process control chart to assess change over time. The presence of PN as a risk factor for CLABSI events and the overall hospital CLABSI rate were trended.

Results

Mean PN utilization index fell from 0.156 (July 2018 to January 2019) to 0.12 (February 2019 to August 2020) (P < .01). For 18 months, no PN utilization index reached the baseline lower control limit of 0.144, demonstrating special‐cause variation and sustained change. PN as a risk factor for hospital CLABSI cases decreased from most prevalent (49% of cases) to fifth most prevalent (29%) as the CLABSI rate trended down.

Conclusion

Engaging frontline staff in the development of a clinical practice guideline and increased accountability to reduce potential patient harm led to a significant and sustained reduction in PN utilization, as well as decreased prevalence of PN as a risk factor in hospital CLABSI cases.
Advances in adjunct therapy against tuberculosis: Deciphering the emerging role of phytochemicals
Authors: Fatima Samreen , Kumari Anjna , Dwivedi Ved Prakash
Published: August 2021

Eastern countries are a major source of medicinal plants, which set up a rich source of ethnopharmacologically known medicines used in the treatment of various diseases. These traditional medicines have been known as complementary, alternative, or nonconventional therapy across globe for ages. Tuberculosis (TB) poses a huge global burden and leads to maximum number of deaths due to an infectious agent. Treatment of TB using Directly Observed Treatment Short‐course (DOTS) therapy comprises multiple antibiotics is quite lengthy and causes serious side‐effects in different organs. The length of the TB treatment leads to withdrawal from the patients, which paves the way for the emergence of drug resistance in the bacterial population. These concerns related to therapy need serious and immediate interventions. Traditional medicines using phytochemicals has shown to provide tremendous potential in TB treatment, mainly in the eradication ofMycobacterium tuberculosis(M.tb), increasing natural immunity, and managing the side effects of anti‐TB drugs. This review describes the antituberculosis potential of selected ethnopharmacologically important phytochemicals as potential immune‐modulator and as an adjunct‐therapy in TB. This review will be a useful reference for researchers working on ethnopharmacology and will open the door for the discovery of novel agents as an adjunct‐therapy to tuberculosis.
Mortality of People with Parkinson's Disease in a Large UK‐Based Cohort Study: Time Trends and Relationship to Disease Duration
Authors: Okunoye Olaitan , Horsfall Laura , Marston Louise , Walters Kate , Schrag Anette
Published: August 2021

Background

Parkinson's disease (PD) is associated with increased mortality, but little is known about changes over time, and relationship to disease progression.

Objectives

To explore how PD mortality rates have changed over time and their relationship to disease duration and demographics using a large population‐based cohort in the UK.

Methods

We included individuals aged 50+ years with a first recording of PD diagnosis and at least two prescriptions of any antiparkinsonian drug actively registered within a general practice from 2006 to 2016 and up to six frequency‐matched controls from The Health Improvement Network (THIN) database. We estimated adjusted mortality rates using multivariable Poisson regression.

Results

A total of 10,104 people with a diagnosis of PD and 55,664 people without PD were included. Overall, PD was associated with slightly increased mortality compared to non‐PD controls (adjusted mortality rate ratio: 1.14; 95% CI: 1.03 to 1.19). Adjusted mortality rates per 1000 person‐years at risk for people with PD approximately doubled in the 5 years following diagnosis from 43 (95% CI: 38 to 48) to 75 (95% CI: 64 to 85). Following adjustments for age, gender, and time since diagnosis, mortality rates between 2007 and 2016 declined more slowly for people with PD (2% per year; 95% CI: 0%–4%) compared to people without PD (5% per year; 95% CI: 3%–6%).

Conclusions

Whilst mortality in PD is only slightly increased overall, it gradually increases with advancing disease. There has been a decline in mortality in PD over time, but this decrease was less pronounced than that in the general population. © 2021 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson Movement Disorder Society.
Assessing the maternal risks associated with short stature in ancient Southeast Asia
Authors: van Tiel Britta , McFadden Clare
Published: August 2021

The maternal experience in ancient Southeast Asia has been an area of study not yet addressed in bioarchaeological research due to the challenges associated with evaluating it and the lack of tools available. This study aims to better our knowledge of the maternal experience in ancient Southeast Asia by investigating whether there is a relationship between maternal mortality rates and a known maternal risk factor, stature, which can be estimated from archaeologically derived skeletal remains. This is performed by applying an adapted maternal mortality rate estimator and undertaking analyses based on stature estimates from ancient Southeast Asian archaeological samples. By investigating estimated stature and maternal mortality rates, we are able to look at whether the modern risks associated with pregnancy in short statured females were also seemingly applicable in the past in Southeast Asia. This study identified that, at the population level, a decrease in average stature coincided with an increase in maternal mortality rates. These results emulate modern trends, with shorter statured females being at a higher risk of maternal death and often requiring medical intervention due to complications caused by their short stature and associated small pelvis. These findings contribute to our understanding of the maternal risk associated with short stature in ancient Southeast Asia.
One‐Pot Synthesis of Benzo[4,5]imidazo[1,2‐a]pyrimidin‐2‐ones Using a Hybrid Catalyst Supported on Magnetic Nanoparticles in Green Solvents
Authors: Moussa Alkassoume , Rahmati Abbas
Published: August 2021

The conversion of soluble polyoxometalate into insoluble polyoxometalate is considered to be one of the major challenges in synthetic organic chemistry. Here, polyoxometalate was bonded to the salt part of an organic branch immobilized on the silica‐coated Fe3O4 nanoparticle and characterized using various techniques. The fabricated complex was used as a heterogeneous catalyst in a novel one‐pot reaction for synthesis of benzo[4,5]imidazo[1,2‐a]pyrimidin‐2‐ones using aromatic amines, dimethyl acetylenedicarboxylate (DMAD), derivatives of benzaldehyde and 2‐aminobenzimidazole in water/ethanol as a green solvent. 21 derivatives of benzo[4,5]imidazo[1,2‐a]pyrimidin‐2‐one were synthesized by this method and fully characterized. The high stability of the catalyst showed that it can be reused for 6 times without decreasing in activity. The combination of new synthetic method, new ferromagnetic heterogeneous nano‐catalyst, green solvent and simple separation method were presented in this work.
Assessment of the Arsenic Removal From Water Using Lanthanum Ferrite
Authors: García Fabiana E. , Litter Marta I. , Sora Isabella Natali
Published: August 2021

The catalytic performance of a perovskite‐type lanthanum ferrite LaFeO3 to remove arsenic from water has been investigates for the first time. LaFeO3 was prepared by citrate auto‐combustion of dry gel obtained from a solution of the corresponding nitrates poured into citric acid solution. Kinetic studies were performed in the dark with As(V) and in the dark and under UV‐C irradiation at pH 6–7 with As(III) (both 1 mg L−1), and As : Fe molar ratios (MR) of 1 : 10 and 1 : 100 using the LaFeO3 catalyst. As(V) was removed from solution after 60 min in the dark in 7 % and in 47 % for MR=1 : 10 and MR=1 : 100, respectively, indicating the importance of the amount of the iron material on the removal. Oxidation of As(III) in the dark was negligible after 60 min in contact with the solid sample, but complete removal of As(III) was observed within 60 min of irradiation at 254 nm, due to As(III) photooxidation to As(V) and to As(III) sorption to a minor extent. Morphological and microstructural studies of the catalyst complement the catalytic testing. This work demonstrates that LaFeO3 can be used for the removal of As(III) from highly arsenic contaminated water.