bluuebunny/crossref_metadata_2025 huggingface dataset:
An experimental study of the hydrodynamics and contaminant transport in a Y‐shaped confluence with flexible submerged vegetation
Authors: Tong Xuneng , Liu Xiaodong , Yang Ting , Mohapatra Sanjeeb , Hua Zulin , Zhang Yuan , Chu Kejian , Xue Hongqin
Published: August 2022

Vegetation greatly affects the flow characteristics and contaminant transport in river confluences. In this study, the flow characteristics and contaminant transport in the non‐vegetated/vegetated Y‐shaped confluence were explored systematically through a series of experiments. A total of 10 scenarios were designed to answer the three main research questions: what is the difference between the flow characteristics and contaminant transport in (1) asymmetrical and Y‐shaped confluences; (2) non‐vegetated/vegetated Y‐shaped confluences; (3) vegetated Y‐shaped confluences with different confluence ratios? The experimental results revealed that vegetation remarkably changes the internal flow structure in Y‐shaped confluences. Briefly, the velocity profile can be divided into three vertical layers within the vegetated system, but it remains nearly constant in the non‐vegetated channel. Vegetation changes the circulation location and reduces the intensity of the secondary current, weakening the strength of contaminant mixing. However, the turbulent kinetic energy within the vegetated system is larger than that in the non‐vegetated case, and it peaks at the top of the vegetation canopy. Under different confluence ratio cases, the overall fluctuation of the longitudinal dispersion coefficients along the cross‐sections in the mainstream was similar but increasing the confluence ratio causes the circulation to appear to advance and enhances its intensity. In addition, the vegetation density (200 item/m2) in this study render the manning roughness coefficient at 0.068, which is larger than that under lower vegetation density cases. The outcomes from this study are helpful for both environmental and river management applications.
Combining sediment source tracing techniques with traditional monitoring: The “Arvorezinha catchment” experience
Authors: Minella Jean P. G. , Merten Gustavo H. , Schlesner Alexandre , Bernardi Felipe , de Barros Cláudia A. P. , Tiecher Tales , Ramon Rafael , Evrard Olivier , dos Santos Danilo Rheinheimer , Reichert José Miguel , Tassi Rutineia
Published: August 2022

To truly understand the hydrologic and erosive processes that occur at the catchment scale regarding land use and soil management changes, intensive monitoring is required over a long period. Variables such as precipitation, flow rate and suspended sediment concentration are the fundamentals needed to estimate sediment yield (SY). However, in order to shed more light on the effects of soil management changes on SY, traditional hydrologic monitoring techniques can be paired with sediment tracing to identify sediment sources. In addition, mathematical models that predict erosion and SY can also help understand the dynamics of erosion and deposition between the hillslope and stream channel. Given the above, this article provides an overview of almost 20 years of monitoring (2002–2021) in the Arvorezinha experimental catchment (1.23 km2) located on the edge of the Brazilian meridional plateau in southern Brazil, which is subject to extreme erosion due to a combination of factors related to intensive agriculture and steep slopes. The catchment was selected as a study site to evaluate the effects of land‐use changes and soil conservation management on hydrology and SY. The text reviews the history of the study, synthesizes the main results and describes the evolution of the monitoring techniques used while giving special attention to the fingerprinting approach. In addition, the article discusses the importance of catchment‐scale studies for teaching, generating technical‐scientific knowledge and fostering collaboration between national and international research groups.
Analysing the capability of a catchment's spectral signature to regionalize hydrological parameters
Authors: Fragoso‐Campón Laura , Durán‐Barroso Pablo , Quirós Elia
Published: August 2022

Water resource management in ungauged catchments is complex due to uncertainties around the hydrological parameters that characterize streamflow behaviour. These parameters are usually defined by regionalization approaches, in which the hydrological response patterns of ungauged basins are inferred from those of gauged basins. Regression‐based methods using physical properties derived from cartographic data sources are widely used. The current remote sensing techniques offer new opportunities for the regionalization of hydrological parameters since the hydrological response depends on the physical attributes related to the spectral responses of a given land surface. Moreover, machine learning approaches have not been specifically applied to the regionalization of hydrological parameters in forested areas. This work studies the capability of a catchment's spectral signature based on Sentinel‐1 and Sentinel‐2 data to address a regression‐based regionalization of hydrological model parameters using a machine learning approach. Hydrological modelling was conducted by the HBV‐light model. We tested the random forest algorithm in several regionalization scenarios: the new approach using the catchments' spectral signature, the traditional method using physical properties and a fusion of these methods. The calibration results were excellent (median KGE = 0.83), and the regionalized parameters achieved good performance, in which the three scenarios showed almost the same goodness of fit (median KGE = 0.45–0.50). We found that the effectiveness depends on the climatic environment and that predictions in humid catchments exhibited better performance than those in the driest catchments. The physical approach (median KGE = 0.71) exhibited better performance than the spectral approach (median KGE = 0.64) in humid catchments, whereas spectral regionalization (median KGE = 0.33) enhanced the physical scenario in the driest catchments (median KGE = 0.25). Our results confirm that regionalization is still challenging in drier climates, such as in the Mediterranean environment. The new spectral approach showed promising results and it was effective in the analysis of the relationship between the spectral response of the territory and its hydrological characteristics, specially, where no cartographic data is available.
The strong fractional choice number of 3‐choice‐critical graphs
Authors: Xu Rongxing , Zhu Xuding
Published: August 2022

A graph is called 3‐choice‐critical if is not 2‐choosable but any proper subgraph of is 2‐choosable. A graph is strongly fractional ‐choosable if is ‐choosable for all positive integers for which . The strong fractional choice number of is is strongly fractional ‐choosable. This paper determines the strong fractional choice number of all 3‐choice‐critical graphs.
Rapid identification of chemical components in Zhizi Baipi decoction by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry coupled with a novel informatics UNIFI platform
Authors: Wei Wenfeng , Liu Shaobo , Han Ying , Lu Shengwen , Yan Guangli , Sun Hui , Wang Xijun
Published: August 2022

Zhizi Baipi decoction is a classic traditional Chinese medicine formula for the treatment of jaundice and various liver diseases. The chemical components of Zhizi baipi decoction were not clear resulting of the paucity of relevant studies, which hindered the elucidation of the pharmacological mechanism, and the comprehensive development and utilization of Zhizi baipi decoction in clinical. In this study, ultra‐performance liquid chromatography‐quadrupole‐time of flight mass spectrometry combined with the UNIFI natural product information analysis platform was used to rapidly analyze and identify the chemical components in Zhizi baipi decoction. A total of 122 chemical components, including 53 flavonoids, 16 alkaloids, 25 terpenoids, five phenylpropanoids, 14 organic acids, and seven others, were identified from Zhizi baipi decoction. These compounds may be the active components of Zhizi baipi decoction. The method established in this study can systematically, rapidly, and accurately resolve the chemical components in Zhizi baipi decoction, which lays the foundation for further establishment of the pharmacodynamic substance basis and quality control of Zhizi baipi decoction.
Kinetics of the thermolysis of 3‐nitro‐2,4‐dihydro‐3H‐1,2,4‐triazol‐5‐one (NTO) and nanosize NTO the presence of nickel‐zinc‐cobalt ferrite
Authors: Dave Pragnesh N. , Sirach Ruksana , Chaturvedi Shalini
Published: August 2022

This study deals with the evaluation of the catalytic activity of quaternary nickel‐zinc‐cobalt ferrite (NiZnCoF) nanoparticles on the thermal decomposition of 3‐nitro‐2,4‐dihydro‐3H‐1,2,4‐triazol‐5‐one (NTO). Nanosize NiZnCoF has been successfully synthesized using the co‐precipitation method. The effect of 5% by mass NiZnCoF on the thermolysis of NTO and NTO with nanosize (nNTO) has been studied using simultaneous thermal analysis. In the presence of NiZnCoF additive, the decomposition of NTO and nNTO was increased by 8.55 and 7.68°C, indicating that the additive stabilizes NTO and nNTO. The DSC peak temperature also suggests the presence of NiZnCoF decreases the nNTO's exothermic curve by 5.62°C. The DSC peak curve of NTO in the presence of NiZnCoF was shifted from 276.35 to 272°C. The activation energy calculations suggested that the high activation energy of NTO can be reduced ∼82–87 kJ mol−1 by nanosizing NTO followed by the incorporation of NiZnCoF.
Manipulating Conjugated Polymer Backbone Dynamics through Controlled Thermal Cleavage of Alkyl Side Chains
Authors: Zhao Haoyu , Shanahan Jordan J. , Samson Stephanie , Li Zhaofan , Ma Guorong , Prine Nathaniel , Galuska Luke , Wang Yunfei , Xia Wenjie , You Wei , Gu Xiaodan
Published: August 2022

The morphological stability of an organic photovoltaic (OPV) device is greatly affected by the dynamics of donors and acceptors occurring near the device's operational temperature. These dynamics can be quantified by the glass transition temperature (Tg) of conjugated polymers (CPs). Because flexible side chains possess much faster dynamics, the cleavage of the alkyl side chains will reduce chain dynamics, leading to a higher Tg. In this work, the Tgs for CPs are systematically studied with controlled side chain cleavage. Isothermal annealing of polythiophenes featuring thermally cleavable side chains at 140 °C, is found to remove more than 95% of alkyl side chains in 24 h, and raise the backbone Tg from 23 to 75 °C. Coarse grain molecular dynamics simulations are used to understand the Tg dependence on side chain cleavage. X‐ray scattering indicates that the relative degree of crystallization remains constantduring isothermal annealing process. The effective conjugation length is not influenced by thermal cleavage; however, the density of chromophore is doubled after the complete removal of alkyl side chains. The combined effect of enhancing Tg and conserving crystalline structures during the thermal cleavage process can provide a pathway to improving the stability of optoelectronic properties in future OPV devices.
Hilbert complexes with mixed boundary conditions—Part 2: Elasticity complex
Authors: Pauly Dirk , Schomburg Michael
Published: August 2022

We show that the elasticity Hilbert complex with mixed boundary conditions on bounded strong Lipschitz domains is closed and compact. The crucial results are compact embeddings which follow by abstract arguments using functional analysis together with particular regular decompositions. Higher Sobolev order results are also proved. This paper extends recent results on the de Rham Hilbert complex with mixed boundary conditions from Pauly and Schomburg (2021, 2022) and recent results on the elasticity Hilbert complex with empty or full boundary conditions from Pauly and Zulehner (2020, 2022).
Interleaved binomial kT‐points for water‐selective imaging at 7T
Authors: Löwen Daniel , Pracht Eberhard D. , Stirnberg Rüdiger , Liebig Patrick , Stöcker Tony
Published: August 2022

Purpose

We present a time‐efficient water‐selective, parallel transmit RF excitation pulse design for ultra‐high field applications.

Methods

The proposed pulse design method achieves flip angle homogenization at ultra‐high fields by employing spatially nonselective ‐points pulses. In order to introduce water‐selection, the concept of binomial pulses is applied. Due to the composite nature of ‐points, the pulse can be split into multiple binomial subpulse blocks shorter than half the precession period of fat, that are played out successively. Additional fat precession turns, that would otherwise impair the spectral response, can thus be avoided. Bloch simulations of the proposed interleaved binomial ‐points pulses were carried out and compared in terms of duration, homogeneity, fat suppression and pulse energy. For validation, in vivo MP‐RAGE and 3D‐EPI data were acquired.

Results

Simulation results show that interleaved binomial ‐points pulses achieve shorter total pulse durations, improved flip angle homogeneity and more robust fat suppression compared to available methods. Interleaved binomial ‐points can be customized by changing the number of ‐points, the subpulse duration and the order of the binomial pulse. Using shorter subpulses, the number of ‐points can be increased and hence better homogeneity is achieved, while still maintaining short total pulse durations. Flip angle homogenization and fat suppression of interleaved binomial ‐points pulses is demonstrated in vivo at 7T, confirming Bloch simulation results.

Conclusion

In this work, we present a time efficient and robust parallel transmission technique for nonselective water excitation with simultaneous flip angle homogenization at ultra‐high field.
IT and the many challenges for nonprofits
Authors: Lynn Sarah A. , Sellai Michael
Published: August 2022

Security is a concern for companies in any industry. While it is often discussed in the context of governments and private‐sector organizations, nonprofits need to be just as vigilant when it comes to understanding the need for data privacy and implementing solutions to keep critical information safe. Informed donors, as well as government and regulatory agencies, are keenly interested in data security issues, such as personally identifiable information and hardened systems. Penalties for data breaches can be severe both in monetary costs as well as in reputational damage. Furthermore, privacy laws, such as the California Consumer Privacy Act (CCPA), can have an impact on nonprofits. That's because, although nonprofit organizations in California are exempt from the CCPA, they must take due care of their own vendors and providers. Through their actions, they must demonstrate that they are following the law. The fact is that consumers, in general, do expect their private data to be protected by the “steward of the data.” If that steward is the nonprofit, then that is where the perceived and implied obligation to protect data may lie.
Atypical dental wear in an enslaved individual from Lagos, Portugal
Authors: Wasterlain Sofia N. , Rufino Ana I. , Ferreira Maria Teresa
Published: August 2022

This paper discusses the atypical wear observed on the anterior teeth of an enslaved African adult female (age‐at‐death: 47.62 ± 3.36 years), exhumed from Valle da Gafaria, Lagos, Portugal (15th–17th centuries). All teeth of this individual (n = 31) were macroscopically observed to score dental wear and caries. A more accentuated wear was observed on the lingual surface of the maxillary anterior teeth, with dentine exposure until the cement‐enamel junction. Although many individuals of this osteoarchaeological assemblage present intentional dental modifications, the location and characteristics of these wear facets are not compatible with such cultural practices. Interdental attrition caused by overbite was also excluded due to the inexistence of corresponding lingual or labial wear on any lower teeth. Also, the relatively unpolished appearance of the wear facets does not favor the hypothesis of perimolysis due to regurgitation. Instead, the observed wear pattern is consistent with lingual surface attrition of the maxillary anterior teeth (LSAMAT). Regarding the aetiology, in this particular case, two possible causes are suggested: extra‐masticatory behaviors and/or consumption of abrasive carbohydrates, namely, a starchy plant. Although this individual presents several carious lesions, which favor the hypothesis of a carbohydrate‐rich diet, these processes can act simultaneously. Therefore, it would be unwise to favor one aetiological factor over the other.
Radiation initiated synthesis of (carboxymethyl cellulose/polyacryalmide) hydrogels with polyprotic acid moieties and their utilization in nicotinic acid release
Authors: Mahdy Sanna R. , Awadallah‐F Ahmed , Khalil Salwa A.
Published: August 2022

Hydrogels of (carboxymethyl cellulose/polyacrylamide/polyprotic acids) were synthesized via gamma‐irradiation as green initiator. The polyprotic acids were used are oxalic, tartaric, citric and maleic. Effects of irradiation dose and polyprotic acids concentration on gelation (%) and swelling (%) are investigated. The swelling of hydrogels were conducted in the range of pH levels are from 1 to 12 at 37°C. The outcome hydrogels were characterized different techniques of Fourier transform infrared spectroscopy, thermal gravimetric analysis and derivative thermogravimetry, X‐ray diffraction, and scanning electron microscopy. The results confirmed the formation of respective hydrogels. Hydrogels were exploited in release of nicotinic acid as model of drug release. Dry tablets from hydrogels were fabricated as cylindrical discs. Dry hydrogels tablets were subjected to two different pH levels (i) simulated gastric fluid of pH level 1.2 and (ii) simulated intestinal fluid of pH level 7.5. The outcome results showed that there is a difference of nicotinic acid release quantity between the two pH levels. Further, different kinetic models of zero‐order, Korsmeyer–Peppas, Higuchi and Weibull were used to fit the experimental data. Through the results declared that the best fitting model was Weibull.
A proposed mechanism for solid bed encapsulation: Based on comparing three dimensional andone‐dimensionalscrew melting models
Authors: Campbell Gregory A. , Wetzel Mark D. , Spalding Mark A.
Published: August 2022

This paper describes how the initial melt generation physics with differing pressure generation dynamics lead to either conventional melting or one dimensional (1D) melting. An historic review of the development of single screw melting models is presented. First, a review of the classic model is briefly presented. Second, after an analysis of literature melting data developed using the Maddock solidification procedure, a screw rotation concept melting model is presented that correlates very well with the melting analysis. Third, a new 1D film melting model is developed to analyze melting when the melt film does not encapsulate the solid bed. This physical model provides for the first time a quantitative model for the initiation and ultimate solid bed melting of the 1D melting process. Finally, a new concept and resulting model demonstrate that Reynold's barring concept for pressure generation in the initial melt film at the barrel interface may provide the mechanism that relates to whether the solid bed is or is not encapsulated.
Alopecia signals associated with calcitonin gene‐related peptide inhibitors in the treatment or prophylaxis of migraine: A pharmacovigilance study
Authors: Woods Richard H.
Published: August 2022

Study Objective

Although rarely observed in clinical trials, alopecia has been reported in migraine patients treated with calcitonin gene‐related peptide (CGRP) inhibitors during the postmarketing period. This study sought to assess whether CGRP inhibitors are associated with disproportionate alopecia reporting relative to other drugs including those indicated for migraine treatment or prophylaxis in a real‐world setting.

Design

Retrospective disproportionality analysis.

Data Source

Spontaneous adverse events reported to the United States Food and Drug Administration Adverse Event Reporting System (FAERS) through the fourth quarter of 2021.

Measurements and Main Results

Thirteen Medical Dictionary for Regulatory Activities preferred terms were used to define alopecia cases in FAERS. Disproportionality was measured by calculating proportional reporting ratios (PRR) and 95% confidence intervals (CI). A PRR >2.0 with a lower 95% CI >1.0 and ≥3 cases was considered a positive signal. During the study period, CGRP inhibitors were reported as suspect products in 55,994 adverse events including 1827 (3.26%) alopecia cases. Compared with all other drugs across FAERS, alopecia signals were detected for the collective CGRP inhibitor class (PRR 4.06; 95% CI 3.88–4.25) and fremanezumab (PRR 5.42; 95% CI 4.66–6.29), erenumab (PRR 4.29; 95% CI 4.05–4.54), galcanezumab (PRR 4.11; 95% CI 3.78–4.48), and eptinezumab (PRR 2.06; 95% CI 1.25–3.40) individually. CGRP inhibitors were consistently associated with alopecia signals relative to triptans (PRR 12.46; 95% CI 10.22–15.18) and celecoxib (PRR 3.50; 95% CI 3.19–3.83), but not in comparison with anticonvulsants, onabotulinumtoxinA, or beta‐blockers across analyses. Within the CGRP inhibitor class, an alopecia signal was observed for biologics relative to drugs (PRR 6.11; 95% CI 3.79–9.87).

Conclusion

Significant alopecia signals were identified for CGRP inhibitors relative to all other drugs and certain comparator migraine therapies based on adverse events reported to FAERS, with CGRP‐targeting biologics primarily driving disproportionate reporting. Future observational data will be necessary to better characterize the potential association between real‐world use of CGRP inhibitors and incident alopecia in patients with migraine.
Pathological gambling and impulsivity related to Huntington's disease
Authors: Sarafudheen Sheeba , Shoka Ahmed , Kathirgamachelvam Janarth
Published: August 2022

Patients with Huntington's disease are a risk group for developing problematic gambling, which is characterised by subjects’ inability to stop gambling despite financial, personal or professional problems. Predisposition to pathological gambling and other addictions involves disturbances in the same corticostriatal circuits that are affected in Huntington's disease, and displays similar disinhibition‐related symptoms. The authors present a case of long‐standing pathological gambling, impulsivity and organic mood disorder related to Huntington's disease.
Study of care home referrals during three COVID‐19 national lockdowns
Authors: Badrakalimuthu Vellingiri Raja
Published: August 2022

The COVID‐19 pandemic presented unprecedented challenges that required a well‐coordinated response across central and local government, health services, and non‐government sectors. This study compared characteristics, presentation and treatment of care home patients referred to the care home pathway team during three lockdowns between March 2020 and March 2021 in the Guildford and Waverley Home Pathway. Despite availability of mental health services, the findings indicate a reduction in access to mental health services as well as physical health investigations for elderly residents in care homes during lock down 1 compared with the subsequent lockdowns.
1,8‐Octanedithiol as an Effective Intermediate Layer for Deposition of Cu Electrodes via Inkjet Printing and Laser Sintering on III–V Triple‐Junction Solar Cells
Authors: Hayati-Roodbari Nastaran , Wheeldon Alexander , Fian Alexander , Trattnig Roman
Published: August 2022

This research study combines surface modification techniques with back‐end‐of‐line (BEOL) methods for cost‐effective, scalable front contact electrode deposition on III–V solar cells. Copper nanoparticle grids are deposited by inkjet printing on surface‐modified III–V solar cells. The deposition of a self‐assembled monolayer (such as 1,8‐octanedithiol) as an intermediate layer is a proven method for surface modification to improve the wettability of the substrate surface and the adhesion of the printed copper nanoparticle structures on the substrate to perform inkjet printing of coherent and narrow electrode structures. Then, the printed copper ink is converted to a conductive copper grid by a picosecond pulsed laser with optimized settings and an additional galvanic plating step is required for the thickening of inkjet‐printed and laser‐sintered seeding layer for solar cell applications. As a result, an ohmic copper contact on III–V layer with low contact resistivity (5 mΩ cm2) is realized successfully. The processed solar cell shows a functioning behavior with 20% conversion efficiency.
Synthesis and Microwave Absorption Properties of Fe3O4/CuS Composites
Authors: Yin Jinhua , Xu Xiuhui , Ji Jindou , Li Xiang , Cheng Xingwang
Published: August 2022

A two‐step hydrothermal method is used to produce Fe3O4/CuS composites with a distinct layered structure of CuS. The composition, magnetism, and absorbing properties of the different proportions of Fe3O4/CuS composites are characterized. The results show that Fe3O4 absorbs electromagnetic waves through orientation polarization and magnetically related natural resonance and that high conductivity enhances CuS microwave absorption. Compared with single‐phase Fe3O4 and CuS, Fe3O4/CuS composites exhibit superior microwave absorption performance with a considerably reduced matching thickness and increased effective absorption bandwidth in the 1–18 GHz range, which can be attributed to the interfacial coupling‐induced polarization between heterostructure Fe3O4 and CuS. Based on these results, Fe3O4/CuS composites can be absorbers with a far wider microwave‐effective absorption bandwidth.
Off‐State Drain Leakage Current Mechanism in GaN High Electron Mobility Transistors from Thermal Storage Test
Authors: Mukherjee Jayjit , Chaubey Rupesh Kumar , Rawal Dipendra S. , Dhaka Rajendra S.
Published: August 2022

The effect of the thermal storage test on GaN high electron mobility transistor (HEMT) is investigated in this study by observing off‐state drain leakage current and on‐state hysteresis and maximum transconductance. The recovery post thermal stress is also observed which points to native defects within the heterostructure as the leakage values after 72 hrs of recovery are measured to be one order higher than the pristine device. On‐state hysteresis recovery and off‐state drain leakage are dominated by similar defects as observed from the characteristic recovery times. Trap analysis through drain current spectroscopy reveals an additional trap level of EC – 0.83 eV from the thermal storage test. The electrical measurements are in close correlation with the Raman active mode leading to reduced lifetimes (≈0.44 ps) at higher temperatures, where anharmonic phonon decay is observed following the reported Balkanski model. This gives an overall picture of the phonon‐induced defect generation from the thermal stress and the recovery from the reduced scattering probability within the material observed after 72 hrs recovery; also observed within the HEMTs from electrical characterization.
Epidermal growth factor receptor mutation‐positive advanced lung adenocarcinoma presenting with acute respiratory failure diagnosed by thin bronchoscope through transnasal route under high‐concentration oxygen mask
Authors: Ito Takayasu , Makino Yasushi , Mashimo Shuko , Baba Tomoya , Otsuki Ryo , Yasui Hirotoshi , Fukui Yasutaka , Odate Mitsuru , Arai Yoshifumi , Okachi Shotaro , Wakahara Keiko , Hashimoto Naozumi
Published: August 2022

A 59‐year‐old woman complained of continuous dyspnea. Computed tomography revealed multiple pulmonary nodules, mildly small enlarged mediastinal lymph nodes and a nodule in the liver segment 8. Her dyspnea worsened with respiratory failure 4 days after presentation. Liver biopsy was not possible as she could not hold her breath; thus, we performed bronchoscopy. For biopsy, the pulmonary nodules with a positive bronchus sign were preferred over the mildly small enlarged mediastinal lymph nodes. Bronchoscopy under non‐invasive positive pressure ventilation (NPPV) or high‐flow nasal cannula (HFNC) was impossible because of the lack of equipment. Therefore, we biopsied via thin bronchoscope through nasal cavity under a high‐concentration oxygen mask. Pathological findings revealed epidermal growth factor receptor mutation‐positive lung adenocarcinoma. For patients with respiratory failure who cannot undergo bronchoscopy under NPPV or HFNC, thin bronchoscopy through the nasal cavity under a high‐concentration oxygen mask may be clinically useful to prevent hypoxaemia during the procedure
High Visual Colorimetric Determination of F‐ Ions by Exploiting the Inhibition of Oxidase Mimicking Activity of FeMnO4@GQD Nanocomposite
Authors: Ali Salim , Sikdar Suranjan , Basak Shatarupa , Roy Debadrita , Dakua Vikas K , Adhikary Prakriti , Roy Mahendra N.
Published: August 2022

Human health is significantly impacted by fluorides in water.Too much fluoride consumption through drinking water causes chronic dental and bones diseases. A trace number of fluorides in drinking water can be determined, which is immensely vital for human health. In the current study, we have designed a visual colorimetric chemosensor assay using the brilliant oxidase mimicking activity of biosynthesized FeMnO4@GQD nanocomposite. FeMnO4@GQD nanocomposites showed excellent mimicking activity in mild acid medium pH‐5, and obtained a Vmax value of 1.71603×10−6 and an important Km value of 0.0684 mM based on Hanes‐Woolf kinetics. The robust nanocomposites were shown to be significant stability for detecting oxidases under conditions. As a consequence, oxidase‐like activity was inhibited in the presence of fluoride ions. A linear correlation was established by the development of blue colour with fluoride ions concentration and appeared at a low limit of detection of 1.2 μg/ml without interfering with other common ions.
A Higher Affinity Melamine Binding Aptamer Mutant for More Sensitive Detection
Authors: Li Yani , Liu Xixia , Hou Yaoyao , Wu Qin , Hou Jianjun
Published: August 2022

Melamine is an illegal additive in milk products. Mel‐34 is an aptamer specific for melamine. In this paper, we studied the base‐pair function in the stem regions of Mel‐34 using label‐free thiazole orange (TO) staining assay. Then, we used isothermal titration calorimetry (ITC) to verify the binding activity, and the fluorescence resonance energy transfer (FRET) biosensor based molecule‐beacon was established to detect melamine in yogurt sample. We found one of the mutants (mut6) has four folds higher affinity than Mel‐34, which indicated its critical binding domain was G18‐C25 base pair. We detected melamine in 1 % yogurt sample using mut6 as recognition molecule, the linear range was below 20 μM and the limit of detection was 4.09 μM which is below the melamine threshold (1.0 mg/kg) in milk products. This work calls for carefully study the critical binding domain to discover higher affinity aptamer specific for small molecule using label‐free method.
In Silico Studies, Biological Effects and Anti‐Lung Cancer Potential of Triacetyl Resveratrol as Natural Phenolic Compound
Authors: Pei Yanzhi , Gong Shuning , Song Min , El‐kott Attalla F. , Bani‐Fwaz Mutasem Z. , Xu Yan
Published: August 2022

Natural molecules that possess antibacterial and anticancer activity have received rising interest to be utilized as alternative drug. This compounds have capacity efficacy in the therapy of lung cancer with minimal side effects. Triacetyl resveratrol compound showed good inhibitory activities against some metabolic enzymes with IC50 values of 45.14±3.88 μM for collagenase, 5.20±0.65 μM for alpha amylase, 125.63±9.70 μM for HMG‐CoA reductase and 31.78±5.30 μM for elastase. Indeed, these molecules had good In vitro anti‐lung cancer activities. The molecular docking was conducted to assess the chemical activity of triacetyl resveratrol against HMG‐CoA reductase, alpha‐amylase, collagenase, and elastase. Based on the obtained results, this compound can target the crucial residues of the enzymes and decrease their activities. The docking score of triacetyl resveratrol is −4.385 kcal/mol against HMG‐CoA reductase and −3.890 kcal/mol against alpha amylase. This score for the compound against collagenase and elastase are −3.371 kcal/mol and −1.608 kcal/mol, respectively. Diverse interactions like hydrogen bonds and hydrophobic bonds with the key residues of the enzymes can affect their activities considerably. Inhibition of elastase and collagenase enzymes recorded as main aims in cosmetic industry for researches to discovery novel skin‐lightening and antiwrinkle molecules or extracts particularly with rich polyphenol contents as well as to prove their effectiveness.
Amine and Sulfonic Acid Anchored Porous Silica as Recyclable Heterogeneous Catalysts for Ring‐Opening of Oxiranes
Authors: Pandey Madhu , Tsunoji Nao , Kubota Yoshihiro , Bandyopadhyay Mahuya
Published: August 2022

MCM type mesoporous silica materials can be used as potential catalysts with appropriate functionalization, for increasing selectivity and yield of the desired products. Co‐condensation or post‐synthesis treatment is the most common process of surface functionalization of mesoporous materials for the introduction of catalytic groups to their internal pore surfaces. In this work two different functional moieties were introduced on the surface of mesoporous material; one, a base functional group (3‐aminopropyl)triethoxysilane (APTES) and another, an acid functional group (3‐mercaptopropyl)triethoxysilane (MPTES). The materials were characterized thoroughly by powder XRD, BET, FT‐IR, TGA, NMR, SEM, TEM, etc. The results confirmed successful grafting of both the functional groups. The functionalized materials were tested in ring opening of different oxiranes; and the base functionalized MCM‐48 was found to be catalytically more active than acid functionalized material and was correlated mechanistically. Conversion of morpholine and piperidine with base functionalized material was found to be 93 and 91 %, respectively; and with acid functionalized material, 52 % of conversion of morpholine and 57 % conversion of piperidine was observed. Amine modified mesoporous MCM‐48 and MCM‐41 were found to be totally heterogeneous in nature and the catalysts were reusable up to 4 times without leaching.
Development and Structural Modifications of Rupestonic Acid Derivatives as Novel Anti‐Influenza Agents: A Mini Review of The Last 10 Years
Authors: Yumaier Abulimiti , Cui Zhi‐Chao , Abudurixiti Adila , Yusuf Abdulla
Published: August 2022

Artemisia rupestrisL. is one of the therapeutic choices to cure influenza and concomitant infections in China. Rupestonic acid is the main active ingredient of this herbal remedy and has activity against the influenza virus. To find a potential lead compound, more than 300 rupestonic derivatives have been synthesized and assayedin vitroagainst influenza A and B viruses. This systematic review was therefore aimed at summarizing the rupestonic acid derivatives and their anti‐influenza activity studied in the last decade.
Synthesis, Characterization and Biomimetic Activity of Heterogenized Dioxidomolybdenum(VI) and Analogous Homogeneous Complexes
Authors: Maurya Mannar R. , Chauhan Abhilasha , Avecilla Fernando
Published: August 2022

Two mononuclear cis‐[MoVIO2] complexes with Schiff base ligands, H4L1 (I) and H4L2 (II) (derived from the condensation of 3,5‐diformyl‐4‐hydroxybenzoic acid with isonicotinoylhydrazide and nicotinoylhydrazide) were synthesized using [MoVIO2(acac)2] (Hacac=acetylacetone) and ligand in 1 : 1 molar ratio in methanol. The obtained homogeneous complexes [MoVIO2(H2L1)]n (1) and [MoVIO2(H2L2)(MeOH)] (2) were supported on titania functionalized with amine group (APTMS‐TiO2) to obtain heterogeneous complexes [MoVIO2(HL1)(MeOH)]@APTMS‐TiO2 (3) and [MoVIO2(HL2)(MeOH)]@APTMS‐TiO2 (4), respectively. All the isolated complexes were characterized by various spectral techniques (FT‐IR, UV‐visible, 1H and 13C NMR), elemental (CHN) and thermogravimetric analyses; heterogeneous complexes were additionally characterized by transmission electron microscopy, diffuse reflectance, X‐ray photoelectron spectroscopy and Powder‐X‐ray diffraction studies. The single‐crystal X‐ray diffraction analysis of complexes 1 and 2 confirms the distorted octahedral geometry for both complexes, where ligands coordinate to the metal centre through Ophenolate, Nazomethine, and Oenolate. Complex 1 has a 3D polymeric structure, where the sixth site of one molecule of Mo is coordinated to the pyridinic nitrogen of the other molecule while 2 is monomeric. These complexes are explored as bio‐mimicking model catalysts for the type II copper site in phenoxazinone synthase. These complexes catalyze the oxidative condensation of o‐aminophenol (OAP) into 2‐aminophenoxazine‐3‐one (APX) utilizing aq. H2O2 in the MeCN‐MeOH mixture. For complexes 1 and 2, the value of turnover number (kcat) obtained for phenoxazinone synthase‐like activity is 2.14 and 1.76 h−1, respectively. Under the optimized reaction parameters, the yield of 2‐aminophenoxazine‐3‐one (APX) obtained is 97 and 92 % for complexes 3 and 4, respectively.
KOtBu/O2 Mediated Dehydrogenation of N‐Heterocycles, Alcohols
Authors: Fu Xuegang , Wang Yue , Liu Liu , Li Caifeng , Huang Lin , Huang Jianhui
Published: August 2022

A convenient dehydrogenation of a number of N,O‐containing heterocycles and carbocycles with readily available inorganic base (KOtBu) and oxygen is reported. The oxidation process is proved to be an SRN1 pathway followed by a radical elimination. This radical process has opened up the possibilities for the development of new superoxide mediated synthetic methodologies using KOtBu as the single electron reductant.
Diisobutyl(morpholino)aluminum‐Enabled Partial Reductions with DIBALH: Highly Practical Synthesis of Aldehydes from Carboxylic Acid Derivatives
Authors: Young Kim So , Ri Kim Yu , Tae Kim Hyun , Kumar Jaladi Ashok , Keun An Duk
Published: August 2022

Facile, partial reduction of carboxylic acid derivatives such as acid chlorides, esters, amides, and nitriles to aldehydes has been demonstrated using a DIBALH and morpholine system. The present system was extensively optimized, and various mole ratios of DIBALH and morpholine were evaluated to accomplish aldehydes in almost excellent yields. Commercial availability of reagents, milder reaction conditions, short reaction time (<1–60 min), and excellent yields are the silent features of the methodology. The present protocol has a broad substrate scope and allows the reduction of aromatic, heterocyclic, polycyclic, and aliphatic substrates.
Solvent‐Free Lipase‐Catalyzed Transesterification of Alcohols with Methyl Esters Under Vacuum‐Assisted Conditions
Authors: Sánchez‐Muñoz Grecia K. , Ortega‐Rojas Marina A. , Chavelas‐Hernández Leticia , Razo‐Hernández Rodrigo S. , Valdéz‐Camacho Jonathan R. , Escalante Jaime
Published: August 2022

Recent progress of the catalytic promiscuity of enzymes have invigorated the use of biocatalysis in organic chemistry. Explorations of biocatalysis for the synthesis of esters are critical since up to now, existing traditional methods are complicated, which usually require long reaction times, microwaves or even toxic reagents. This paper presents a versatile biocatalytic methodology to obtain benzyl esters through a transesterification reaction of methyl esters withCandida antarcticalipase B (CaLB) and benzyl alcohol in the absence of solvent. In addition, the effect of the nucleophile size and the substituent directly attached to the carbonyl group was studied. The results show that, in some cases, using a vacuum shifts the equilibrium of the reaction towards the products. Based on these results, molecular docking studies were carried out, where specific regions in the CaLB catalytic cavity were analyzed.
Direct Solution Processed Ag(Bix,Sb1−x)S2 Films with Tunable Bandgap for Planar Heterojunction Solar Cells
Authors: Zhang Lijian , Cheng Shuai , Wang Jian , Chen Tao
Published: August 2022

Silver bismuth antimony sulfide (Ag(Bix,Sb1−x)S2, 0 ≤ x ≤ 1) is considered as a promising light‐harvesting material for solar cell applications because of its excellent stability, abundant element storage, and tunable bandgap. However, the method for depositing the Ag(Bix,Sb1−x)S2 film hasn't been developed, which hinders the investigation of the composition‐dependent photoelectric properties, such as bandgap, band position tunability, and photovoltaic characteristics. In order to apply Ag(Bix,Sb1−x)S2 in photovoltaics, the authors report a convenient solution method to prepare Ag(Bix,Sb1−x)S2 films with continuously tunable constituents through varying the ratio of Bi and Sb in the solution. The bandgaps of Ag(Bix,Sb1−x)S2 films can be turned from 1.70 to 1.22 eV through changing the Bi/Sb ratio. Moreover, for the first time, the authors confirm that Ag(Bix,Sb1−x)S2 can be applied in solar cell applications. Upon device optimizing, the device based on Ag(Bix,Sb1−x)S2 (x = 0.4) shows a champion power conversion efficiency of 2.70%. This research provides an effective method for fabricating Ag(Bix,Sb1−x)S2 films with regulating the bandgap and confirms the photovoltaic application of Ag(Bix,Sb1−x)S2.
A critical appraisal of chronic venous insufficiency ultrasound guidelines—Views of Australian sonographers
Authors: Liu Gaorui , Xu Xiao Ke Rena , Ziegenbein Robert , Clough Amy , Parsi Yana , Oomens Donna , Clarke Jillian L.
Published: August 2022

Background

Duplex ultrasound is the first line of investigation for patients seeking treatment for varicose veins disease. In Australia, chronic venous insufficiency ultrasound examinations (CVI‐US) are primarily performed by sonographers. The use of clinical guidelines facilitates the practice of ultrasound, and more importantly, provides an assurance to the integrity and quality of the examinations. Our aim is to assess the quality of currently available guidelines and provide recommendations for choosing the appropriate guideline to use and suggestions for future guideline development.

Method

We performed a systematic literature search of the Cochrane, EMBASE, EBSCO, Medline, PubMed, Google and the database of the University of Sydney. The scope covered guidelines from 2000 to 2020 available in English. Identified guidelines were appraised by four independent reviewers (sonographers) using the revised version of the Appraisal of Guidelines Research and Evaluation instrument.

Results

A total of 10 guidelines were included for critical appraisal. Analysis of the results showed most guidelines were rated low quality except for the International Union of Phlebology consensus document (2006) and technical guideline by Zygmunt and colleagues (2020). Overall, Domain 1 (Scope and purposes) achieved the highest score (total score = 67.9% ± 17.3%), whereas, Domain 3 (Rigour of development) had the lowest score (total score = 41.1% ± 13.5%).

Conclusion

The overall quality of CVI‐US guidelines is poor. This study highlights the demand for developing ultrasound guidelines based on methodologically sound principles along with updated scientific evidence. A stronger emphasis should be given to clinical applicability in the Australian context.
The university of a community of learners
Authors: Daniel Wallace
Published: August 2022

Building on classical and recent studies of the learning paradigm of higher education, the author distinguishes between receiving ideas and using them and how universities might educate students to be more open to the world, open to discovery and creativity.
Human health risk assessment of pesticides used for rice cultivation in an agricultural pockets of Eastern India
Authors: Bhoi Rosismita , Mahananda Malaya Ranjan , Pradhan Abanti
Published: August 2022

Food consumption is one of the principal reasons of human exposures to pesticides. The research analyses the relation between pesticide contaminations and their possible adverse health impacts. Rice grain and soil samples were collected from seven blocks of Bargarh district, Odisha. Gas Chromatography‐Mass Spectrometry (GC/MS) was used for the analysis and characterization of various pesticides present in rice grain as well as in soil samples. The identified pesticide residues in rice grain samples were found to be in the sequence of ∑DDT > chlorpyrifos > chlorothalonil > vinclozolin > chlorthal‐dimethyl > endosulfan‐1 > lindane. Detected pesticide concentrations were found to exceed the Maximum Residue Limits (MRLs) set by the Codex Alimentarius International Food Standards with DDT having the highest concentration of 29.27 mg/kg (which is 292 times the MRLs) and lindane with the least concentration of 4.35 mg/kg (which is 435 times the MRLs). Estimated average daily intake (EADI) was found to be higher for DDT and lower for lindane. The Health Risk Index (HRI) for DDT was higher and lower for chlorothalonil in all the samples. Results of one‐way ANOVA reflected no significant differences in variance between the concentrations of pesticides in rice grain samples. Result showed that the residual levels of ∑DDT in soil ranged between 7.8 and 29.3 mg/kg which was the maximum concentration among all the pesticides. Lindane and chlorthal‐dimethyl showed the least concentration ranging between 1.2–4.2 and 1.6–4.1 mg/kg, respectively. DDT had the highest bioconcentration factor (BCF) ranging between 1 and 4. Lindane and endosulfan‐1 had the lowest BCF ranging between 1 and 2. BCF value of other pesticides were found between the range of 1 and 4. Bioconcentration factors of pesticides in rice and soil samples indicated that pesticides in soil could get accumulated in rice. It was observed that the health risk associated with the consumption of rice could be because of its contamination by the pesticides in the study area or of the biomagnification of pesticides from the soil. It is necessary to spreading the awareness regarding safer use, storage and disposal of pesticides should be given utmost importance at the moment as an attempt to reduce or eliminate the environmental contaminations caused by them. National authorities should enforce proper rules and regulations in order to monitor and control the vigorous use of chemical loaded pesticides in agriculture and various other fields. It would be even better to substitute the chemical pesticides with the organic component‐based Bio‐pesticides as a safer option for the mankind and its environment.
Transition of the Energy Industry to (Net)-Zero Emissions
Authors: Teske Sven
Published: August 2022

The status quo in the global oil, gas, and coal industries in terms of their economic value, geographic distribution, and company structures is given. The current fossil fuel production volumes and decline rates required under 1.5 °C-compatible pathways for coal, oil, and natural gas are discussed. The assumptions made when calculating scope 1 and 2 emissions and current and future energy intensities are defined. The role of power and gas utilities under the OECM 1.5 °C scenario is discussed, together with the projected trajectories for renewable power- and heat-generating plants and those for hydrogen and synthetic fuel. Future structures of the global primary and secondary energy industries are suggested.