bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of Levofloxacin Prescription Pattern and Appropriateness Rate in the Outpatient Setting; A Cross-Sectional Study from Iran (2018-2019)
Authors: D. Bayan Azizi Pharm. , D. Sholeh Ebrahimpour Pharm. , D. Mohammadreza Salehi M. , D. Zahra Jahangard-Rafsanjani Pharm.
Published: August 2021

Background: Levofloxacin is prescribed widely as a first-line or alternative treatment option for different infectious diseases. The inappropriate use of this agent has increased the risk of antibiotic resistance, which has convinced researchers to address this issue by designing antibiotic prescription pattern studies.

Aim: This study aimed to evaluate levofloxacin's prescription pattern and appropriateness in the outpatient setting in Iran.

Methodology: This cross-sectional study included all admitted prescriptions containing levofloxacin from October 2018 to June 2019. Data regarding the demographics, clinical and laboratory presentations, preexisting comorbidities, dose and duration of levofloxacin, and the prescribers medical specialty were collected by reviewing the patient's prescriptions or history taking. The pattern and appropriateness of prescriptions were evaluated according to the assessment tool based on accepted international guidelines.

Results: A total of 300 eligible patients (median age: 56.5 years; 56.7% male) were included in the study. Respiratory tract infections were the most common indication for levofloxacin prescription (55.6%); more than half of them were related to community-acquired pneumonia (29.6%). The inappropriateness rate for levofloxacin prescription was 55.3 %, of which 12.6% were related to community-acquired pneumonia, 9.6% skin infections, 8.4% rhinosinusitis, and 6.6% Urinary tract infection. Only 54 (18.0%) patients received levofloxacin with an appropriate indication, dose, and duration, indicating its rational use.

Conclusion: This study found that more than half of all levofloxacin prescriptions in the outpatient setting are inappropriate, contributed mainly to respiratory tract diseases. Interventions that target these health care providers are essential to improve prescribing of this valuable antibiotic.
Communication Strategies to Combat COVID-19 Vaccines Hesitancy
Authors: Yemer Destaw Bayable , Desta Minwuyelet Andualem , Workie Melaku Bayu
Published: August 2021

COVID-19 infectious disease resulted in a pandemic that has threatened millions of people in the world. It is caused by severe acute respiratory syndrome coronavirus (SARS-CoV-2), and it has created a global health crisis. Hence, the present study aimed at assessing communication strategies used by Ethiopian Public Health Institute and Ministry of Health to address COVID-19 vaccine hesitancy, make analysis of vaccination messages, and hybrid media messages to label best practices of communication techniques to address vaccine hesitancy. To attain this objective, a qualitative research method was employed to analyze messages that were disseminated with the hybrid national and regional media and social media platforms. MOH and EPHI disseminated messages; ministers, prominent people, opinion leaders and activists’ speeches used as subjects of the study. COVID-19 vaccination messages were selected through purposive sampling method. The contents of messages regarding health communication were analyzed. The finding showed that building COVID-19 vaccine acceptance through effective communication is important to stop the spread of the virus. The participatory and presumptive style communications are the possible method to promote COVID-19 vaccination before it reaches on refusal stage. Moreover, the results revealed that communication strategies contributed to vaccine advocacy and vaccination campaign to improve vaccine acceptance. MOH and EPHI used the hybrid media to mold the unscientific information and the misinformation of the vaccine. In sum, using effective communication strategies is very important to create awareness about COVID-19 vaccines, and avoid vaccine hesitation to strength the public vaccines acceptability.
Analysis of Optimal Control Strategies for Preventing Computer Virus Infection and Reduce Program Files Damage with Other Symptoms
Authors: Chinebu Titus Ifeanyi , Udegbe Ikechukwu Valentine , Ezennorom Edmund Onwubiko
Published: August 2021

Program files damage and other computer virus symptoms has become a very threatening issue to computer performance. This paper considered an  model with incidence of infected and program files damaged computers and saturated incidence of vaccination and treatment function. Two control functions have been used; one for vaccinating the susceptible computer population and the other for the treatment of the program files damaged computer population. The Pontryagin’s Maximum Principle has been used to characterize the optimal control whose numerical results show the positive impact of the two controls used for controlling the infection dynamics of computer virus. Actually the intention of this study is to minimize the number of infected and program files damaged computer systems and at the same time minimize the cost associated to the controls. Efficiency analysis is also studied to determine the best control strategy among vaccination and treatment. Numerical simulations were carried out in this model to demonstrate the analytical results and it was revealed that combination of vaccination and treatment is the most successful way to minimize the incidence of program files damage.
Functionalized Silk Vascular Grafts with Decellularized Human Wharton's Jelly Improves Remodeling via Immunomodulation in Rabbit Jugular Vein
Authors: Gupta Prerak , Chaudhuri Gaurab Ranjan , Janani G. , Agarwala Manoj , Ghosh Debaki , Nandi Samit K. , Mandal Biman B.
Published: August 2021

Cell‐free polymeric tissue‐engineered vascular grafts (TEVGs) have shown great promise towards clinical translation; however, their limited bioactivity and remodeling ability challenge this cause. Here, a novel cell‐free bioresorbable small diameter silk TEVG system functionalized with decellularized human Wharton's jelly (dWJ) matrix is developed and successfully implanted as interposition grafts into rabbit jugular vein. Implanted TEVGs remain patent for two months and integrate with host tissue, demonstrating neo‐tissue formation and constructive remodeling. Mechanistic analysis reveals that dWJ matrix is a reservoir of various immunomodulatory cytokines (Interleukin‐8, 6, 10, 4 and tumor necrosis factor alpha (TNF‐α)), which aids in upregulating M2 macrophage‐associated genes facilitating pro‐remodeling behavior. Besides, dWJ treatment to human endothelial cells upregulates the expression of functional genes (cluster of differentiation 31 (CD31), endothelial nitric oxide synthase (eNOS), and vascular endothelial (VE)‐cadherin), enables faster cell migration, and elevates nitric oxide (NO) production leading to the in situ development of endothelium. The dWJ functionalized silk TEVGs support increased host cell recruitment than control, including macrophages and vascular cells. It endows superior graft remodeling in terms of a dense medial layer comprising smooth muscle cells and elevates the production of extracellular matrix proteins (collagen and elastin). Altogether, these findings suggest that dWJ functionalization imitates the usefulness of cell seeding and enables graft remodeling.
Investigation on the Effect of Cyclic Stretch and Hypoxia on Recovery of Damaged Skeletal Muscle Cells Using Microfluidic System
Authors: Kim Jaesang , Kim Wanho , Ahn Jisong , Jang Young Jin , Park Hyung‐Soon , Jeon Jessie S.
Published: August 2021

To develop an effective treatment for muscle recovery, costimuli effect of cyclic stretch and hypoxia on the recovery of oxidative damaged skeletal muscle cells is investigated. C2C12 myoblast cells are differentiated into myotube in culture dish followed by seeding the myotubes in the microfluidic device for further growth. Hydrogen peroxide is used to induce oxidative stress on myotubes for mimicking intracellular muscle damage. Afterward, the damaged myotubes are recovered in either normoxia or hypoxia environment with or without cyclic stretch, to elucidate the effect of the stretch and hypoxia on recovery. For analysis, reactive oxygen species, 8‐hydroxydeoxyguanosine, and myosin heavy chain are chosen as recovery indicators and it is shown that cyclic stretch and hypoxia facilitate the recovery of muscle to the greatest extent when both cyclic stretch and hypoxia are applied. To investigate the mechanism of the stretch and hypoxia intervened recovery, hypoxia inducible factor‐1α (HIF‐1α), peroxiredoxin 2, glutathione peroxidase 1, and catalase are selected as candidates for the key factor of recovery acceleration. There is evidence that HIF‐1α and antioxidants contributed to stretch‐/hypoxia‐induced recovery, and HIF‐1α is speculated to play the most important role. Hence, the stretch and hypoxia triggered pathways of cellular recovery are suggested.
UV‐Curable Adhesive Tape‐Assisted Patterning of Metal Nanowires for Ultrasimple Fabrication of Stretchable Pressure Sensor
Authors: Ju Yun Hee , Han Chul Jong , Kim Kwang‐Seok , Kim Jong‐Woong
Published: August 2021

Ag nanowires (AgNWs) have been highlighted as a flexible or stretchable transparent electrode material. Contrary to general perception, AgNWs have not been used in earnest for product development with a flexible form factor because the patterning of an AgNW‐based transparent electrode is complicated and costly, and its reproducibility and the possible pattern specifications are poor. Herein, a highly reproducible, practical patterning approach is developed that not only enables fine patterning down to 30 µm line width, but also enables complicated patterns. When the UV‐curable adhesive is irradiated with UV light, the oligomers cross‐link, resulting in 1) a decrease of adhesion, and 2) curing and shrinking. After attaching this adhesive tape to the temporary substrate coated with AgNWs, through the selective irradiation of UV and peel‐off of the tape, the AgNWs impregnated with the cured adhesive are removed from the temporary substrate, leaving finely defined AgNW patterns. The AgNW patterns thus fabricated are impregnated under the polydimethylsiloxane surface by an inverted layer processing, and could be used to precisely detect whether a gloved finger is touched, or the magnitude of pressure applied to the electrode surface, maintaining high sensitivity even in the stretched state.
Stabilizing the Solid‐Electrolyte Interphase with Polyacrylamide for High‐Voltage Aqueous Lithium‐Ion Batteries
Authors: Hou Xu , Wang Rui , He Xin , Pollard Travis P , Ju Xiaokang , Du Leilei , Paillard Elie , Frielinghaus Henrich , Barnsley Lester C. , Borodin Oleg , Xu Kang , Winter Martin , Li Jie
Published: August 2021

The introduction of “water‐in‐salt” electrolyte (WiSE) concept opens a new horizon to aqueous electrochemistry that is benefited from the formation of a solid‐electrolyte interphase (SEI). However, such SEI still faces multiple challenges, including dissolution, mechanical damaging, and incessant reforming, which result in poor cycling stability. Here, we report a polymeric additive, polyacrylamide (PAM) that effectively stabilizes the interphase in WiSE. With the addition of 5 molar % PAM to 21 mol kg−1 LiTFSI electrolyte, a LiMn2O4∥L‐TiO2 full cell exhibits enhanced cycling stability with 86 % capacity retention after 100 cycles at 1 C. The formation mechanism and evolution of PAM‐assisted SEI was investigated using operando small angle neutron scattering and density functional theory (DFT) calculations, which reveal that PAM minimizes the presence of free water molecules at the anode/electrolyte interface, accelerates the TFSI− anion decomposition, and densifies the SEI.
A Glucose‐Powered Activatable Nanozyme Breaking pH and H2O2 Limitations for Treating Diabetic Infections
Authors: Chen Lifang , Xing Shuohui , Lei Yanli , Chen Qiaoshu , Zou Zhen , Quan Ke , Qing Zhihe , Liu Juewen , Yang Ronghua
Published: August 2021

The peroxidase‐like activity of nanozymes is promising for chemodynamic therapy by catalyzing H2O2 into .OH. However, for most nanozymes, this activity is optimal just in acidic solutions, while the pH of most physiological systems is beyond 7.0 (even >8.0 in chronic wounds) with inadequate H2O2. We herein communicate an activatable nanozyme with targeting capability to simultaneously break the local pH and H2O2 limitations under physiological conditions. As a proof of concept, aptamer‐functionalized nanozymes, glucose oxidase, and hyaluronic acid constitute an activatable nanocapsule “APGH”, which can be activated by bacteria‐secreted hyaluronidase in infected wounds. Nanozymes bind onto bacteria through aptamer recognition, and glucose oxidation tunes the local pH down and supplements H2O2 for the in‐situ generation of .OH on bacteria surfaces. The activity switching and enhanced antibacterial effect of the nanocapsule were verified in vitro and in diabetic wounds. This strategy for directly regulating local microenvironment is generally accessible for nanozymes, and significant for facilitating biological applications of nanozymes.
A Minimal Load‐and‐Lock RuII Luminescent DNA Probe
Authors: Newton Matthew D. , Fairbanks Simon D. , Thomas Jim A. , Rueda David S.
Published: August 2021

Threading intercalators bind DNA with high affinities. Here, we describe single‐molecule studies on a cell‐permeant luminescent dinuclear ruthenium(II) complex that has been previously shown to thread only into short, unstable duplex structures. Using optical tweezers and confocal microscopy, we show that this complex threads and locks into force‐extended duplex DNA in a two‐step mechanism. Detailed kinetic studies reveal that an individual stereoisomer of the complex exhibits the highest binding affinity reported for such a mono‐intercalator. This stereoisomer better preserves the biophysical properties of DNA than the widely used SYTOX Orange. Interestingly, threading into torsionally constrained DNA decreases dramatically, but is rescued on negatively supercoiled DNA. Given the “light‐switch” properties of this complex on binding DNA, it can be readily used as a long‐lived luminescent label for duplex or negatively supercoiled DNA through a unique “load‐and‐lock” protocol.
A Lamellar MXene (Ti3C2Tx)/PSS Composite Membrane for Fast and Selective Lithium‐Ion Separation
Authors: Lu Zong , Wu Ying , Ding Li , Wei Yanying , Wang Haihui
Published: August 2021

A two‐dimensional (2D) laminar membrane with Li+ selective transport channels is obtained by stacking MXene nanosheets with the introduction of poly(sodium 4‐styrene sulfonate) (PSS) with active sulfonate sites, which exhibits excellent Li+ selectivity from ionic mixture solutions of Na+, K+, and Mg2+. The Li+ permeation rate through the MXene@PSS composite membrane is as high as 0.08 mol m−2 h−1, while the Li+/Mg2+, Li+/Na+, and Li+/K+ selectivities are 28, 15.5, and 12.7, respectively. Combining the simulation and experimental results, we further confirm that the highly selective rapid transport of partially dehydrated Li+ within subnanochannels can be attributed to the precisely controlled interlayer spacing and the relatively weaker ion‐terminal (−SO3−) interaction. This study deepens the understanding of ion‐selective permeation in confined channels and provides a general membrane design concept.
Topochemical Ene–Azide Cycloaddition Reaction
Authors: Khazeber Ravichandran , Sureshan Kana M.
Published: August 2021

Topochemical reactions, high‐yielding solid‐state reactions arising from the proximal alignment of reacting partners in the crystal lattice, do not require solvents, catalysts, and additives, are of high demand in the context of green processes and environmental safety. However, the bottleneck is the limited number of reactions that can be done in the crystal medium. We present the topochemical ene–azide cycloaddition (TEAC) reaction, wherein alkene and azide groups undergo lattice‐controlled cycloaddition reaction giving triazoline in crystals. A designed monomer that arranges in a head‐to‐tail manner in its crystals pre‐organizing the reacting groups of adjacent molecules in proximity undergoes spontaneous cycloaddition reaction in a single‐crystal‐to‐single‐crystal fashion, yielding the triazoline‐linked polymer. A unique advantage of this reaction is that the triazoline can be converted to aziridine by simple heating, which we exploited for the otherwise challenging post‐synthetic backbone modification of the polymer. This reaction may revolutionize the field of polymer science.
Does Relationship Counselling for One Work? An Effectiveness Study of Routine Relationship Counselling Services Where Only One Individual Attends
Authors: Lohan Aditi , Cao Yuan , Petch Jemima , Murray Jennifer , Howe Elizabeth
Published: August 2021

There are no published studies investigating the effectiveness of relationship counselling (RC) where only one individual attends (individual relationship counselling (IRC)), in improving client psychological distress (PD). This is important to investigate considering the high prevalence of PD in this client group and the potential for its negative effects to cascade into other domains of an individual’s life. The current study aims to address this gap by investigating the short‐term effectiveness of IRC on PD. This study further builds on previous research by investigating variables that may explain changes in counselling outcomes, including client demographics, interpersonal factors, and therapeutic factors. Data were collected from a national sample of 273 individuals presenting for RC at an Australian not‐for‐profit organisation. Results from multilevel modelling showed a significant reduction in PD over time with moderate effect size. Further, relationship status, family functioning, and the Task subscale of the Working Alliance Inventory emerged as significant predictors of PD. The results of this study have important implications for routine practice in informing opportunities to target these key variables as an avenue to increasing the effectiveness of IRC.
Nanoalkalinecellulose immobilized on magnetic nanoparticles as a green catalyst for the synthesis of tetrahydrodipyrazolopyridines and mechanistic insights under base catalysis
Authors: Tamaddon Fatemeh , Ahmadi‐AhmadAbadi Ehsan , Kargar Hossein
Published: August 2021

The cotton‐derived nanoalkalinecellulose (NAC) flocculated on the Fe3O4‐nanoparticles was analytically characterized as Fe3O4@NAC. With the 1:5.7 weight ratio for organic:inorganic and the base‐capacity equal to 7.5 mmol HO−/g, the Fe3O4@NAC represented a catalytic advantage in the room‐temperature one‐pot pseudo‐multicomponent synthesis of tetra‐hydrodipyrazolopyridines (THDPPs) in water. Mechanistic monitoring supported no requisite to acid/base catalyst in the first phase for rapid formation of intermediate 3‐methylpyrazolone (A) by Knorr reaction of the ethylacetoacetate with hydrazine hydrate in water at room temperature. Alternatively, Fe3O4@NAC showed catalytic roles in the further reaction phases in synthesis of THDPPs from the A. Excellent base capacity, hydrogen‐bonding performance, and stability due to no significant activity loss and leaching after five reaction cycles are advantages of this organometallic catalyst.
Electrochemical Approaches to Carbonylative Coupling Reactions
Authors: Shi Yunru , Xia Chungu , Huang Yang , He Lin
Published: August 2021

The carbonylation reaction is an effective way to introduce CO or other carbonyl groups into organic compounds, and widely used in the preparation of aldehydes, ketones, amides, and esters. The replacement of conventional reaction approaches by greener electrochemical methods is appealing with great synthetic potential as well as inherent safety, owing to the avoidance of external oxidants or reductants and a more facile control in product selectivity. In this minireview, we give a summary of the recent development of carbonylation reactions via the electrochemical approach.
A statistical model for the dynamics of COVID‐19 infections and their case detection ratio in 2020
Authors: Schneble Marc , De Nicola Giacomo , Kauermann Göran , Berger Ursula
Published: August 2021

The case detection ratio of coronavirus disease 2019 (COVID‐19) infections varies over time due to changing testing capacities, different testing strategies, and the evolving underlying number of infections itself. This note shows a way of quantifying these dynamics by jointly modeling the reported number of detected COVID‐19 infections with nonfatal and fatal outcomes. The proposed methodology also allows to explore the temporal development of the actual number of infections, both detected and undetected, thereby shedding light on the infection dynamics. We exemplify our approach by analyzing German data from 2020, making only use of data available since the beginning of the pandemic. Our modeling approach can be used to quantify the effect of different testing strategies, visualize the dynamics in the case detection ratio over time, and obtain information about the underlying true infection numbers, thus enabling us to get a clearer picture of the course of the COVID‐19 pandemic in 2020.
Cross‐neutralization of RBD mutant strains of SARS‐CoV‐2 by convalescent patient derived antibodies
Authors: Lou Yan , Zhao Wenxiang , Wei Haitao , Chu Min , Chao Ruihua , Yao Hangping , Su Junwei , Li Yanan , Li Xiulan , Cao Yu , Feng Yanyan , Wang Ping , Xia Yongyang , Shang Yushuan , Li Fengping , Ge Pingju , Zhang Xinglin , Gao Wenjing , Song Gaojie , Du Bing , Liang Tingbo , Qiu Yunqing , Liu Mingyao
Published: August 2021

Background

The emergence of COVID‐19 pandemic resulted in an urgent need for the development of therapeutic interventions. Of which, neutralizing antibodies play a crucial role in the prevention and resolution of viral infection.

Methods

We generated antibody libraries from 18 different COVID‐19 recovered patients and screened neutralizing antibodies to SARS‐CoV‐2 and its mutants. After 3 rounds of panning, 456 positive phage clones were obtained with high affinity to RBD (receptor binding domain). Clones were then reconstituted into whole human IgG for epitope binning assay and all 19 IgG were classified into 6 different epitope groups or Bins.

Results

Although all antibodies were found to bind RBD, the antibodies in Bin2 had superior inhibitory ability of the interaction between spike protein and angiotensin converting enzyme 2 receptor (ACE2). Most importantly, the antibodies from Bin2 showed stronger binding affinity or ability to mutant RBDs (N501Y, W463R, R408I, N354D, V367F, and N354D/D364Y) derived from different SARS‐CoV‐2 strains as well, suggesting the great potential of these antibodies in preventing infection of SARS‐CoV‐2 and its mutations. Furthermore, such neutralizing antibodies strongly restricted the binding of RBD to hACE2 overexpressed 293T cells. Consistently, these antibodies effectively neutralized wildtype and more transmissible mutant pseudovirus entry into hACE2 overexpressed 293T cells. In Vero‐E6 cells, one of these antibodies can even block the entry of live SARS‐CoV‐2 into cells at 12.5 nM.

Conclusions

These results indicate that the neutralizing human antibodies from the patient‐derived antibody libraries have the potential to fight SARS‐CoV‐2 and its mutants in this global pandemic.
Fat mass and obesity‐associated protein regulates tumorigenesis of arecoline‐promoted human oral carcinoma
Authors: Li Xia , Xie Xiaoli , Gu Yangcong , Zhang Jianming , Song Jiang , Cheng Xiufeng , Gao Yijun , Ai Yilong
Published: August 2021

Arecoline, a major alkaloid within areca nut extract, is recognized as the primary active carcinogen promoting oral squamous cell carcinoma (OSCC) pathological development. Dysregulation of N6‐methyladenosine (m6A) methyltransferase components (e.g., Fat mass and obesity‐associated protein [FTO] and methyltransferase‐like 3 [METTL3]) are closely associated with multiple cancer progression, including oral cancer. However, the biological function role of FTO in arecoline‐induced oral cancer is largely unknown. We identified that FTO was significantly upregulated in OSCC tissues from patients with areca nut chewing habits and chronic arecoline‐treated OSCC cell lines. Depletion of FTO attenuated the arecoline‐promoted stemness, chemoresistance, and oncogenicity of OSCC cells. Finally, we revealed that FTO was negatively regulated by a transcription factor forkhead box protein A2 (FOXA2) in OSCC cells. This study, for the first time, demonstrated that FTO plays an oncogenic role in arecoline‐induced OSCC progression. Thus, developing new therapeutic agents targeting FTO may serve as a promising method to treatment OSCC patients, especially those with areca nut chewing habits.
First report of rheumatoid arthritis and secondary Sjögren's syndrome complicated with heart failure
Authors: Zhang Hui , Kong Fanxue , Yu Fei , Hao Shuai
Published: August 2021

A 70‐year‐old woman with rheumatoid arthritis for 45 years developed secondary Sjögren's syndrome. She had a long‐term low‐salt and low‐fat diet and did not adhere to long‐term hormone and rheumatic immunotherapy, which led to heart failure.
Insight into the Structural Evolution of the Cobalt Oxides Nanoparticles upon Reduction Process: An In Situ Transmission Electron Microscopy Study
Authors: Ma Chenwei , Yun Yifeng , Zhang Tianfu , Suo Haiyun , Yan Lai , Shen Xianfeng , Li Yongwang , Yang Yong
Published: August 2021

As a prerequisite elementary step, the reduction of cobalt (Co) oxides to form metallic Co is essential to display activity in heterogeneous catalysis. Nevertheless, the intrinsic principle of phase and morphology evolution for Co oxides and formation mechanism of the active Co site remains unclear. Here, we resolve this decades‐long question by using a state‐of‐the‐art in situ transmission electron microscopy (TEM) to elucidate the multi‐role of initial crystalline phase and size of Co oxides in modulation of reduction rate, phase and morphology evolution under H2 atmosphere, by excluding the possible interference from promoter and support. We anticipate that this study enriches current understanding on the surface structure and morphology evolution of Co oxides, and provides reference for rational design of Co‐based catalytic material as well as its pretreatment protocol.
Evaluation of corn herbicide programs with and without atrazine
Authors: Norsworthy Jason K. , Richburg Jacob , Barber Tom , Roberts Trenton , Gbur Edward
Published: August 2021

Atrazine is a foundational herbicide in corn (Zea mays L.) because of its broad‐spectrum weed control and utility for pre‐emergence or postemergence applications. Extensive atrazine use has led to traces in groundwater, surface water, and aquifers. This research explored corn herbicide regimes with little or no atrazine. Pre‐emergence herbicide treatments [S‐metolachlor (0.955 lb acre–1); saflufenacil (0.054 oz acre–1) plus dimethenamid‐P (0.473 lb acre–1)] and postemergence herbicide mixtures [bicyclopyrone (0.040 lb acre–1) plus mesotrione (0.161 lb acre–1) plus S‐metolachlor (1.429 lb acre–1); thiencarbazone‐methyl (0.013 lb acre–1) plus tembotrione (0.067 lb acre–1), thiencarbazone‐methyl (0.033 lb acre–1) plus isoxaflutole (0.082 lb acre–1); acetochlor (0.964 lb acre–1) plus mesotrione (0.103 lb acre–1) plus clopyralid (0.065 lb acre–1)] were applied alone or combined with atrazine at 0.50 lb acre–1 to glyphosate‐ or glufosinate‐resistant corn. All postemergence applications contained glyphosate (1.125 lb acre–1) plus glufosinate (0.402 lb acre–1). Palmer amaranth [Amaranthus palmeri (S.) Watson], broadleaf signalgrass [Urochloa platyphylla (Munro ex C. Wright) Nash], and pitted morningglory (Ipomoea lacunosa L.) control were always greater than 95%. Saflufenacil plus dimethenamid‐P injured corn 8 and 5% more than S‐metolachlor 21 d after pre‐emergence application. Averaged over pre‐emergence herbicide and atrazine rate, thiencarbazone‐methyl plus isoxaflutole injured corn by 21% in 2017. The addition of atrazine did not improve corn yield in 7 of 16 instances. According to this research, the weeds assessed at these densities can be controlled without atrazine by some programs.
Titanium Vacancies in TiO2 Nanofibers Enable Highly Efficient Photodriven Seawater Splitting
Authors: Zhang Yan‐Xiang , Wu Si‐Ming , Tian Ge , Zhao Xiao‐Fang , Wang Li‐Ying , Yin Yi‐Xia , Wu Lu , Li Qian‐Ni , Zhang Yue‐Xing , Wu Jin‐Song , Janiak Christoph , Ozoemena Kenneth I. , Shalom Menny , Yang Xiao‐Yu
Published: August 2021

Photodriven seawater splitting is considered to be one of the most promising techniques for sustainable hydrogen production. However, the high salinity of seawater would deactivate catalysts and consume the photogenerated carriers. Metal vacancies in metal oxide semiconductors are critical to directed electron transfer and high salinity resistance; they are thus desirable but remain a challenge. We demonstrate a facile controllable calcination approach to synthesize TiO2 nanofibers with rich Ti vacancies with excellent photo/electro performances and long‐time stability in photodriven seawater splitting, including photocatalysis and photo‐electrocatalysis. Experimental measurements and theoretical calculations reveal the formation of titanium vacancies, as well as unidirectional electron trap and superior H+ adsorption ability for efficient charge transfer and resistance to corrosion by seawater. Therefore, atomic‐/nanoscale characteristics and mechanism have been proposed to clarify the generation of titanium vacancies and the corresponding interfacial electron transfer.
Modelling adsorption based on an isoreticular MOF‐series of IFPs–Part I: Collection of physical properties and single component equilibria
Authors: Otter Dirk , Dieler Max , Dänekas Volker , Krätz Lorenz , Holdt Hans‐Jürgen , Bart Hans‐Jörg
Published: August 2021

An isoreticular series of metal organic frameworks (MOFs) of IFPs (IFP, imidazolate frameworks Potsdam) is investigated for their morphological properties and adsorption behaviour. The materials are characterized phenomenologically with respect to their particle size and tendency of agglomerate formation, and with respect to their internal structure. For this purpose, material densities, pore size distributions, specific inner surfaces, and porosities are determined. The main part of the investigation is based on the analysis of gravimetrically determined adsorption equilibria for carbon dioxide (CO2) and methane (CH4) and their modelling. In this context, two different approaches for the consideration of the buoyancy of the sample are compared. The adjusted measurement data are globally approximated as sets of isotherms at different temperatures with two different modifications of the Langmuir model. Results show that both models are well suited for the interpolation of the experimental data in the temperature range under consideration. Comparison of the heats of adsorption derived from the isosteric method with values extracted from the model equations confirms them as physically consistent. This provides the opportunity to numerically simulate the dynamic separation of CO2/CH4‐mixtures under consideration of the heat tone based on the single component data. The IFPs can be divided phenomenologically into two categories. One is exclusively microporous (IFP‐4, ‐6, ‐7, and ‐8), while the other exhibits hierarchical structures of micropores coupled with mesopores (IFP‐1, ‐2, ‐3, and ‐5). Equilibrium data indicate that the latter are better suited for the separation of CO2/CH4‐mixtures due to their higher selectivities and capacities.
Illumination correction model with sine‐cosine algorithm to optimize gray wolf population for least‐squares support vector regression
Authors: Yang Junyi , Zhao Haitao , Chen Sheng
Published: August 2021

The color of an object appears different from its true color when illuminated with light sources of different hues. To solve this problem, this article proposes a combination algorithm (SCA‐GWO‐LSSVR) based on the sine‐cosine algorithm (SCA) and the gray wolf optimization (GWO) algorithm to optimize the regression prediction model of the least‐squares support vector regression (LSSVR) algorithm. The performance of the traditional LSSVR is significantly affected by the penalty parameter (gamma) and the sig2 kernel function parameter. The proposed method uses the improved GWO algorithm to search the population to find the best LSSVR parameter solution. The proposed algorithm uses the SCA to create multiple random candidate solutions in population initialization to avoid blind initialization of the GWO algorithm. In the process of iterative optimization, the SCA is infiltrated, and its sine‐cosine wave mathematical model is used to quickly identify the best outward or inward position of the gray wolf. Finally, the LSSVR combines the optimal sig2 kernel function parameters and penalty parameters (gamma) to obtain a highly versatile illumination correction model. The experimental results show that the fitting accuracy of the proposed method reaches 86.8%, which is 5% higher than that of the LSSVR algorithm alone.
Elucidating the Active Site and the Role of Alkali Metals in Selective Hydrodeoxygenation of Phenols over Iron‐Carbide‐based Catalyst
Authors: Zhang Jianghao , Sudduth Berlin , Sun Junming , Kovarik Libor , Engelhard Mark H. , Wang Yong
Published: August 2021

Iron‐carbide‐based catalysts have been explored in the selective hydrodeoxygenation (HDO) of phenol, aiming at elucidating the role of active site and alkali metal. Complementary characterization such as X‐ray diffraction, X‐ray photoelectron spectroscopy, high‐resolution transmission electron microscopy, and scanning transmission electron microscopy coupled with electron energy loss spectroscopy, together with catalytic evaluations revealed a rapid structural reconstruction of iron carbide (Fe3C) catalysts, leading to a stable defective graphene‐covered metallic Fe active phase (G@Fe) under reaction conditions. Further studies using different alkali metals (i. e., Na, K, and Cs) revealed that alkali metals showed negligible effect on the phase transformation of Fe3C. However, the reconstructed G@Fe doped with alkali metals inhibited the tautomerization, a facile reaction pathway to saturation of the aromatic ring, leading to enhanced selectivity to arene. The extent of inhibition of tautomerization or selectivity to arene was closely related to the degree of electron donation of alkali metal to Fe.
Mass spectrometric characterization of urinary hydrafinil metabolites for routine doping control purposes
Authors: Knoop Andre , Fußhöller Gregor , Haenelt Nadine , Goergens Christian , Guddat Sven , Geyer Hans , Thevis Mario
Published: August 2021

Little information on the human metabolism and urinary elimination of hydrafinil (9‐fluorenol) exists. In order to support preventive anti‐doping activities concerning compounds such as hydrafinil, a pilot elimination study was conducted with three healthy male volunteers receiving a single oral dose of 50 mg of hydrafinil. Urine samples were collected prior to and up to 72‐h post‐administration and were subjected to both gas chromatography–mass spectrometry and liquid chromatography–mass spectrometry, which allowed for the identification of the intact drug as well as Phase I and Phase II metabolites, primarily hydroxylated and/or glucuronidated or sulfo‐conjugated hydrafinil. The identity of these metabolites was corroborated by high‐resolution/high‐accuracy tandem mass spectrometry, and the applicability of routine doping control workflows for the detection of hydrafinil and its main metabolites was assessed. Therefore, two findings of hydrafinil and its metabolites were recorded, which concerned out‐of‐competition doping control samples and, hence, were not pursued with confirmatory analyses. Yet, the initial testing procedure results indicate that hydrafinil might require consideration in sports drug testing programs to ensure its detection, if classified as prohibited by the World Anti‐Doping Agency (WADA).
Mitochondrial genomes of fiveHyphessobrycontetras and their phylogenetic implications
Authors: Xu Wei , Lin Shupeng , Liu Hongyi
Published: August 2021

To date, the taxonomic status and phylogenetic affinities withinHyphessobrycon, even among other genera in Characidae, remain unclear. Here, we determined five new mitochondrial genomes (mitogenomes) ofHyphessobryconspecies (H. elachys,H. flammeus,H. pulchripinnis,H. roseus, andH. sweglesi). The mitogenomes were all classical circular structures, with lengths ranging from 16,008 to 17,224 bp. The type of constitutive genes and direction of the coding strand that appeared in the mitogenomes were identical to those of other species in Characidae. The highest value of the Ka/Ks ratio within 13 protein‐coding genes (PCGs) was found in ND2 with 0.83, suggesting that they were subject to purifying selection in theHyphessobrycongenus. Comparison of the control region sequences among sevenHyphessobryconfish revealed that repeat units differ in length and copy number across different species, which led to sharp differences in mitogenome sizes. Phylogenetic trees based on the 13 PCGs did not support taxonomic relationships, as theHyphessobryconfish mixed with those from other genera. These data were combined to explore higher level relationships within Characidae and could aid in the understanding of the evolution of this group.
Pyridazinium based ionic liquids as green corrosion inhibitors: An overview
Authors: Gurjar Shriniwas , Sharma Sushil Kumar , Sharma Ankit , Ratnani Sonia
Published: August 2021

Increasing ecological awareness and stringent environmental regulations has resulted in development of green and sustainable strategies for prevention of corrosion. One such attractive strategy involves ionic liquids due to their interesting properties such as low volatility, non‐flammability, nontoxic nature, high thermal and chemical stability, and their ability to adsorb on the metallic surface. In the past few years, pyridazinium‐based ionic liquids have been studied for corrosion inhibition. This review gives an update of the research work carried with these ionic liquids toward corrosion inhibition in the past 5 years.
Borohydride oxidation electrocatalysis at individual, shape‐controlled Au nanoparticles
Authors: Saha Partha , Rahman Md. Maksudur , Hill Caleb M.
Published: August 2021

Nanostructured materials are frequently employed as active components in electrochemical devices for energy conversion and storage. Unfortunately, the complexity of nanostructured materials, which can exhibit significant heterogeneities in morphology and/or composition within a macroscopic sample, makes it difficult to generate fundamental insights into their operation using traditional experimental techniques. Analytical methods that can probe the behavior of individual, discrete reactive entities, such as nanoparticles (NPs), may serve as powerful tools for the study of complex, heterogeneous systems, but remain experimentally challenging. Here, the application of probe‐based electroanalytical methods is demonstrated to be a powerful, high‐throughput strategy for the characterization of electrocatalytic systems. A pipet‐based approach, Targeted Electrochemical Cell Microscopy (TECCM), was applied to characterize the electrocatalytic properties of individual, shape‐controlled Au NPs toward the borohydride oxidation reaction (BOR), a model fuel cell reaction. Using TECCM, the BOR could be quantitatively interrogated at individual NPs in a high‐throughput fashion, directly revealing significant NP‐to‐NP variations in reactivity and stability. BOR kinetics were found to exhibit a significant shape dependence, generally increasing in the order Triangles < Spheres Octahedra < Rods, and prominent voltammetric features were observed that could be attributed to surface deactivation/reactivation process occurring at individual NPs. Together, these results demonstrate the large degree to which catalytic behavior varies at the single NP level and the power of applying single NP analytical techniques to the study of these systems.
Optimization and prediction of pulsating heat pipe compound parabolic solar collector performances by hybrid deep belief network based bald eagle search optimizer
Authors: Palanivel Vijayakumar , Govindasamy Kumaresan , Arunachalam Gokul Karthik
Published: August 2021

The compound parabolic collector (CPC) with pulsating heat pipe (PHP) is developed for enhance the heat transfer rate, thermal efficiency and heat losses, and so forth. and working fluid plays a major role in this process. The thermal resistance, temperature, and thermal efficiency have been experimented with under different conditions, and heating periods were analyzed. In this, cobalt oxide (Co3O4) and graphene oxide (GO) added distilled water (DW) is used as the working fluid in the filing ratio of 50%. Bald eagle search optimization (BES) algorithm is used for optimizing the experimented values, and the better‐optimized values are used for hybrid BES based deep belief network (DBN) prediction. The maximum temperature obtained for experiment and optimization is 65 and 65.16161°C. 59% of thermal efficiency was obtained as maximum for experimentation, and 59.1542% of thermal efficiency was obtained as maximum for optimization. The maximum thermal resistance obtained for experimentation and optimization is 0.08 and 0.06938°C/W. In this, optimized outputs performed well than the experimental values. Besides, the hybrid DBN based BES algorithm is performed based on the optimized performances to predict the temperature, thermal efficiency and thermal resistance. Further, predicted outcomes are compared with the non‐hybrid neural networks such as DBN, CNN and ANN. DBN‐BES depicts low error values than the non‐hybrid neural networks. Overall, the proposed hybrid solar collector model and the hybrid nanoparticles added water helps to enhance the thermal characteristics with minimum heat loss.
Calculation and analysis of pollutants during takeoff and landing based on airborne data
Authors: Weijun Pan , Hengheng Zhang , Xiaolei Zhang , Tianyi Wu
Published: August 2021

This study adopts the calculation method of reducing pollutant emission during flight based on the flight record data from Nantong to Chengdu. More accurate flight record data can be obtained by interpolating, filtering, and weighting QAR (airborne quick access recorder) data in order to recover specific flight conditions. BMMF2 and P3‐T3 flow correction method are used to correct the fuel flow value in the QAR data and analyze the exact consumption time of each phase of the LTO (landing take‐off cycle) based on the key parameter. The actual pollutant emission results calculated using QAR data are compared with the reference data of International Civil Aviation Organization under the same conditions, and then changes of pollutant emission in each flight stage are analyzed. The results show that in the four modes of approach, taxi, take‐off, and climb of standard landing and take‐off (LTO) cycle, the pollutants emitted in the taxi section account for about 60% of the whole cycle, the taxi time is reduced by 6.78 min, the total emission is reduced by 11.4%, and the fuel consumption is reduced by 11.96%. The estimated nitrogen oxide emissions of LTO in stages using the QAR measured data after accurately dividing the flight phase, which is over 28% different from the original estimation method. The QAR data can analyze the pollutant emissions of aircraft in different stages. Methods for calculating the engine emissions of the LTO phase can provide a more accurate reference for assessing pollution of near‐ground aircraft and airports in different regions.
Biotransformation Potential of Cationic Surfactants in Fish Assessed with Rainbow Trout Liver S9 Fractions
Authors: Droge Steven T.J. , Armitage James M. , Arnot Jon A. , Fitzsimmons Patrick N. , Nichols John W.
Published: August 2021

Biotransformation may substantially reduce the extent to which organic environmental contaminants accumulate in fish. Presently, however, relatively little is known regarding the biotransformation of ionized chemicals, including cationic surfactants, in aquatic organisms. To address this deficiency, a rainbow trout liver S9 substrate depletion assay (RT-S9) was used to measure in vitro intrinsic clearance rates (CLint; ml min–1 g liver–1) for 22 cationic surfactants that differ with respect to alkyl chain length and degree of methylation on the charged nitrogen atom. None of the quaternary N,N,N-trimethylalkylammonium compounds exhibited significant clearance. Rapid clearance was observed for N,N-dimethylalkylamines, and slower rates of clearance were measured for N-methylalkylamine analogs. Clearance rates for primary alkylamines were generally close to or below detectable levels. For the N-methylalkylamines and N,N-dimethylalkylamines, the highest CLint values were measured for C10–C12 homologs; substantially lower clearance rates were observed for homologs containing shorter or longer carbon chains. Based on its cofactor dependency, biotransformation of C12–N,N-dimethylamine appears to involve one or more cytochrome P450–dependent reaction pathways, and sulfonation. On a molar basis, N-demethylation metabolites accounted for up to 25% of the N,N-dimethylalkylamines removed during the 2-h assay, and up to 55% of the removed N-methylalkylamines. These N-demethylation products possess greater metabolic stability in the RT-S9 assay than the parent structures from which they derive and may contribute to the overall risk of ionizable alkylamines. The results of these studies provide a set of consistently determined CLint values that may be extrapolated to whole trout to inform in silico bioaccumulation assessments. Environ Toxicol Chem 2021;40:3123–3136. © 2021 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

Abstract
Experimental investigation on CO2 desorption kinetics from MDEA + PZ and comparison with MDEA/MDEA + DEA aqueous solutions with thermo‐gravimetric analysis method
Authors: Kang Shunji , Shen Zhi , Shen Xizhou , Fang Liuya , Xiang Li , Yang Wenze
Published: August 2021

The carbon dioxide discharged from fossil fuels combustion products is considered as a major contributor to global warming. The current investigation aimed at CO2 desorption kinetics in 3.25 mol L–1 methyldiethanolamine (MDEA)–0.1 mol L–1 piperazine (PZ) rich amine aqueous solution with thermo‐gravimetric analysis (TGA) method under different heating rates of 2.5, 5, 10, and 20 °C min–1. The kinetics parameters were determined by comparison of 40 mechanism functions with thermal analysis kinetic method. The average activation energy E was 59.16 kJ mol–1, preexponential factor A was 5.54 × 108, and the most probable mechanism function was G(α) = [–ln(1 – α)]3/2. In addition, the kinetic parameters of CO2 desorption process from three rich amine aqueous solutions (MDEA, MDEA + diethanolamine(DEA), MDEA + PZ) were compared and the influence of kinetic parameters was further discussed. The desorption rate models of three rich amine aqueous solutions were established and desorption rates were well predicted. The order of desorption rate inferred from desorption rate model was MDEA > MDEA + DEA > MDEA + PZ. The results indicated that TGA combined with thermal analysis kinetics was an effective and quick method with high accuracy, easy operation, and good repeatability for screening absorbents preliminarily in laboratory. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.