bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Exploration of Spectroscopic and Hydrogen Bonding Analysis of Direct Orange 26 Dye in Combination with Experimental and TD-DFT Calculations.
Authors: Zayed Mohamed A. , Noamaan Mahmoud A , Abo-Ayad Zahraa A.M 
Published: May 2021

Abstract
The importance of this study stems from, it concentrates on new approach applying both practical and theoretical aspects to study structure of Direct orange dye 26 (DO-26) as an important dye widely used for dyeing of cotton or viscose for red orange direct printing. It also can be used for silk, wool, polyvinyl alcohol, polyamide fiber fabric and pulp dyeing. It proficiently compare practical with theoretical results of structural identification of the given important dye, via carful inspection of various phenomena detected in its two symmetrical arms around urea center. Direct orange dye 26 (DO-26) structure has been studied applying both practical spectroscopic and theoretical investigations. DFT-B3LYP/6-311++G(d,p) calculations are performed to investigate its structure, and the electronic vibrational properties. Correlation is found between experimental and calculated data. An intra-molecular hydrogen bonding interaction had been detected and characterized in dye skeleton using Atoms-in-molecule analysis employment. The hydrogen bonding present in the dye structure affecting its vibrational properties had been discussed. Natural population analysis like HOMO and LUMO and high quality molecular electrostatic potential plots along with various electronics had been presented at the same level of theory. Chemical reactivity descriptors from conceptual density functional theory point of view, structure activity relationship descriptor were obtained. The experimental UV/Visible and FT-IR spectral data of the dye DO-26 (D1) had been presented. These data had been supported by TD-DFT calculations to simulate the experimental spectra with computing the natural transition orbitals (NTO) and the orbital composition. The variation of charge transfer length (Δr) and variation in its dipole moment with respect to ground state (ΔmCT) had been computed in order to study the charge redistribution due to the excitations. Actually there is a problem that, degradation of this dye in wastewater by different techniques leads to various unknown fragments but on using theoretical possibilities it can be expected what happened in practical work.
Simulation and Experimental Research on the Cooling Medium of Diamond Single Particles and Beads Cutting Reinforced Concrete
Authors: Zhang Lan , Pang Yongyin , Liu Ming , Wang Liquan , Sha Xianbin , Xiao Yue 
Published: May 2021

Abstract
Diamond wire saw is the first choice for the demolition of reinforced concrete walls and is expected to work from top to bottom for a couple of weeks. However, the service life of the machine is greatly affected by dry operating conditions. What’s more, the thick and high walls make the effective cooling of working diamond wire saws even harder. To tackle the cooling problem in the work, not only was the cutting heat generated during the cutting process calculated to provide a theoretical basis for the simulation and experiments, but the FEM software AdvantEdge was used to simulate the cutting process. By applying four different cooling media and comparing the temperature change of the cutting zone as well as the force of the diamond particles, the best cooling scheme was obtained. What’s more, the effectiveness of the cooling medium in the simulation process was experimentally verified. In the end, microscopic wear of the diamond particles was observed by Scanning Electron Microscope to study the impact of different cooling media. The proposed cooling scheme is of major significance for the dismantling of decommissioned nuclear facilities with diamond wire saws.
Treatment of Acute Kidney Injury Using a Dual Enzyme Embedded Metal-organic Framework-mediated Cascade That Catalyzes in Vivo ROS Scavenging
Authors: Hou Xinyue , Shi Jianxiang , Zhang Jie , Wang Zhigang , Zhang Sen , Li Ruifeng , Jiang Wei , Guo Jiancheng , Shang Wenjun 
Published: May 2021

Abstract
Background: Significant advances have been made in recent years to utilize natural enzymes with antioxidant properties for the treatment of acute kidney injury (AKI). However, these enzymes have limited clinical utility due to their limited cellular uptake, poor pharmacokinetic properties, and suboptimal stability. We prepared a novel biomimetic mineralization approach to overcome these limitations.Results: Catalase (CAT) and superoxide dismutase (SOD) were encapsulated in a zeolitic imidazolate framework-8 (ZIF-8), then this SOD@CAT@ZIF-8 complex was anchored with MPEG2000-COOH to yield an MPEG2000-SOD@CAT@ZIF-8 (PSCZ) composite. This composite was then utilized as a stable tool with antioxidant properties for the integrated cascade-based treatment of AKI, remarkably improved intracellular enzyme delivery. The PSCZ composite showed a significantly relieve ability of H2O2 induced ROS and prevented apoptosis in HEK293 cells. In vivo, this composite showed a protective effect in the cisplatin-induced AKI mouse model. In addition, PSCZ treatment mitigated renal dysfunction and histological injury, like tubulointerstitial infiltration. RNA sequencing results further confirmed the protective effect of PSCZ and the potential molecular mechanism was revealed. PSCZ treatment reduced renal inflammation and inflammatory gene expression and ameliorated increased apoptosis and inflammatory infiltration of renal tubules. Moreover, PSCZ administration regulated renal injury via the p53 signaling pathway. These renoprotective effects of PSCZ treatment were more potent in CP-AKI mice than those of SOD or CAT alone. This dual-enzyme-embedded metal-organic framework was able to scavenge reactive oxygen species synergistically and effectively. Conclusion: PSCZ can remarkably improve intracellular enzyme delivery, and it can be used as a stable tool with antioxidant properties for the integrated cascade-based treatment of AKI. The ZIF-8-based “armor plating” represents an effective means of shielding enzymes with improved therapeutic utility to guide the precision medicine-based treatment of AKI.
Cropland Changes Enhance Carbon Sequestration in Northwest China From 1995 to 2015
Authors: Kong Junqia , He Zhibin , Yang Rong , Chen Longfei , Du Jun 
Published: May 2021

Abstract
Background: The Northwest China has experienced dramatic changes in agricultural land area in recent years; the effects of these changes on carbon storage are unknown and cannot guide further land development policies related to carbon emissions. In this study, we evaluated the effects of cropland changes (reclamation and transfer) during 1995-2015 on carbon storage in Northwest China by using land use data, carbon density data, and statistical yearbooks with the Intergovernmental Panel on Climate Change (IPCC) method. Results: The results indicated that the area of cropland increased by 1.48×106 ha from 1995 to 2005, resulting in a total carbon sequestration of 12.46 Tg, in which conversion of cropland to forest (11.16 Tg) and other land to cropland (8.92 Tg) were the main sources of the increase in carbon storage. Specifically, regional carbon sequestration due to cropland changes exhibited an increasing trend during 1995-2002 (dominated by cropland transfer), a gradually decreasing trend during 2002-2009 (dominated by cropland reclamation), and stabilization since then (during 2009-2015). Conclusions: These results suggest that the development of high carbon density lands or the conversion of low carbon density lands are critical to increasing future carbon sequestration due to cropland change. We used a novel approach of combining land use data, carbon density data, and statistical yearbooks to assess the impact of cropland change on carbon storage; this method is promising in applications which guide agricultural land-use management.
Enhancement of Light Absorption in Plasmonic Based Photodetector with Double Nanograting Structure
Authors: Kashyap Savita , Kaur Harsimranjit 
Published: May 2021

Abstract
This era of high speed photonic system demand photodetectors to have large bandwidth, gain and improved light enhancement competence. Amongst the different light absorption enhancement methods being researched by the investigators, plasmonic has acquired increased attention in the last decades. Although single layer plasmonic supported metal semiconductor metal photodetector (MSM-PD) has been explored for higher light absorption efficiency, but exploration for double-layer structure is lacking in the literature. This paper presents the performance of plasmonic based photodetectors (PDs) with double layer of nanogratings optimized at wavelength of 1.4 µm for night vision applications. Proposed design of plasmonic supported photodetector with double nanograting reports Quenching factor (QF) of 92.14% and provides enhancement in light with the optimized height of subwavelength aperture (SWA) at 60 nm. This can be credited to fact that both top and bottom layer of grating contributes to light trapping.
Evaluation of Insertion/deletion (I/D) Polymorphisms of ACE Gene in Congenital Anomalies of The Kidney and Urinary Tract From a Brazilian Pediatric Population
Authors: Pousa Pedro Antunes , Mendonça Tamires Sara Campos , Fonseca Larissa Marques , Oliveira Eduardo Araújo , Belisário André Rolim , Silva Ana Cristina Simões e 
Published: May 2021

Abstract
Background: Congenital Anomalies of the Kidney and the Urinary Tract (CAKUT) are defined as a heterogeneous group of anomalies that resulted from defects in kidney and urinary tract embryogenesis. CAKUT have a complex etiology. Genetic, epigenetic and environmental factors have been investigated in this context. Angiotensin II is a potent vasoconstrictor and exerts an important role in kidney embryogenesis. The angiotensin-converting enzyme (ACE) converts Angiotensin I into Angiotensin II and ACE gene has insertion/deletion (I/D) polymorphisms that have been evaluated in several nephropathies. This study aimed to evaluate whether the I/D polymorphisms of ACE gene are associated with any CAKUT phenotype or CAKUT in general. Methods and Results: Our study was performed with 225 pediatric patients diagnosed with CAKUT and 210 age-and-sex matched healthy controls. ACE I/D alleles were analysed by real-time polymerase chain reaction (RT-PCR). The distribution of ACE I/D polymorphisms were compared between CAKUT patients and healthy controls, as well between ureteropelvic junction obstruction (UPJO), vesicoureteral reflux (VUR), multicystic dysplastic kidney (MCDK) phenotypes and control group. No statistical association of ACE I/D genotypes and allelic frequency between patients and controls was found among general CAKUT and UPJO, VUR and MCDK phenotypes. Conclusion: Although CAKUT is a complex disease and the ACE gene may exert a role in kidney embryogenesis, CAKUT was not associated with any ACE I/D polymorphisms in this Brazilian pediatric population.
A Novel Chronic Dural Port Platform for Continuous Collection of Large Volumes of Cerebrospinal Fluid and Intrathecal Drug Delivery in Free-Moving Mice.
Authors: Nakajima Tsuneo , Takeda Shuko , Ito Yuki , Oyama Akane , Takami Yoichi , Takeya Yasushi , Yamamoto Koichi , Sugimoto Ken , Shimizu Hideo , Shimamura Munehisa , Rakugi Hiromi , Morishita Ryuichi 
Published: May 2021

Abstract
BackgroundCerebrospinal fluid (CSF) provides a direct representation of the pathophysiological changes occurring in the central nervous system (CNS); therefore, it has been used for pathogenesis research and biomarker development for CNS disorders. The CSF obtained from valid mouse models relevant to CNS disorders can be an important resource for successful biomarker and drug development. However, the limited volume of CSF that can be collected from the tiny intrathecal space and the technical difficulties involved in CSF sampling have been bottlenecks that have hindered the detailed analysis of CSF in mouse models. ResultsWe have developed a novel chronic dural port (CDP) method without cannulation for mouse CSF collection. This method allows easy and repeated access to the intrathecal space in a free-moving, unanesthetized mouse, thereby enabling continuous long-term CSF collection with minimal tissue damage and providing a large volume of high-quality CSF from a single mouse. When combined with chemical biosensors, the CDP method allows real-time monitoring of the dynamic changes in neurochemicals in the CSF at a one-second temporal resolution in free-moving mice. The CDP can also serve as a direct access point for intrathecal injection of CSF tracers and drugs. The spatio-temporal distribution of CSF tracers delivered via CDP revealed a dynamic metabolism of CSF at distinct brain areas. Direct intrathecal delivery of centrally acting drugs via CDP enabled real-time behavioral assessment in free-moving mice. ConclusionsThe CDP method allows collection of a large volume of high-quality CSF and direct intrathecal drug administration with real-time behavioral assessment in free-moving mice. Combined with animal models relevant to CNS disorders, this method provides a unique and valuable platform for biomarker and therapeutic drug research.
Cardiopulmonary Exercise Testing and Pulmonary Function Testing for Predicting Aggravation of CTEPH
Authors: Hanqing Zhu , Xingxing Sun , Yuan Cao , Wenlan Yang , Liu Jinming , Jian Guo 
Published: May 2021

Abstract
BackgroundCardiopulmonary exercise testing (CPET) and pulmonary function testing (PFT) are noninvasive methods to evaluate the respiratory and circulatory systems. This research aimed to evaluate and monitor chronic thromboembolic pulmonary hypertension (CTEPH) noninvasively and effectively. At the same time assess the predictive value of CPET and PFT parameters for the aggravation of CTEPH. MethodsWe used data from 86 CTEPH patients (55 for test set, and 31 for validation set) at the Shanghai Pulmonary Hospital Affiliated to Tongji University. The clinical, PFT and CPET parameters of mild, moderate and severe CPET patients classified according to PAP (mm Hg) were compared. Logistic regression analysis was performed to appraise the predictive value of each potential predictor for severe CTEPH. The performance of PFT and CPET parameters for predicting severe CTEPH was determined by receiver operating characteristic (ROC) curves and calibration curves.ResultsData showed that Load @ Peak (W), FEV1/FVC (%), and VE @ AT (L/min) were independent risk factors for severe CTEPH classified according to PAP (mm Hg). Additionally, the efficacy of the use of Load @ Peak (W), FEV1/FVC (%) and VE @ AT (L/min) in identifying severe CTEPH was found to be moderate with area under the curve (AUC) of ROC curves of 0.736, 0.696 and 0.769, respectively. Furthermore, combination with Load @ Peak (W), FEV1/FVC (%) and VE @ AT (L/min) had a moderate utility value in identifying severe CTEPH with an AUC of 0.897.ConclusionOur data suggests that PFT and CPET parameters can noninvasively and effectively evaluate, monitor and predict the aggravation of CTEPH.
Biological Activity of Wastewater Assessed Using in Vitro Cell-Based Assays
Authors: Petosa Adamo R. , Nowierski Monica , Yargeau Viviane 
Published: May 2021

Abstract
Bioanalytical tools, namely in vitro bioassays, can be employed in tandem with chemical analyses to assess the efficacy of wastewater treatment and the potential for adverse effects from the discharges of wastewater into receiving waters. In the present study, samples of untreated wastewater (i.e. influent) and treated wastewater (i.e. effluent) were collected from two wastewater treatment plants and a wastewater treatment lagoon serving municipalities in southern Ontario, Canada. In addition, grab samples of surface water were collected downstream of the lagoon discharge. After solid phase extraction (SPE) using ion-exchange columns for basic/neutral and acidic compounds, respectively, the extracts were analyzed for a suite of 16 indicator compounds. The two SPE extracts were combined for analysis of biological responses in four in vitro cell-based bioassays. The concentrations of several indicator compounds, including the estrogens, 17β-estradiol and 17α-ethinylestradiol, were below the limits of detection. However, androstenedione and estrone were detected in several influent samples. The concentrations of these steroid hormones and some of the other indicator compounds declined during treatment but acesulfame K, carbamazepine, trimethoprim and DEET persisted in the effluent. The MTS- CellTiter 96® AQueous One Solution Cell Proliferation Assay (MTS) indicated that cell viability was not affected by exposure to the extracts. The Qiagen Nuclear Receptors 10-Pathway Reporter Array indicated that several cellular pathways were upregulated, with the greatest upregulation observed with the estrogen receptor (i.e. induction ratios 12 to 47) and the liver X receptor (i.e. induction ratios 10 to 45). The ERα CALUX assay indicated that estrogenic activity was lower in effluents compared to influents, with the greatest estrogenic activity observed for grab samples of influent from the lagoon (i.e. 56-215 ng L-1 17β-estradiol equivalents). Finally, the results of the Nrf2 Luciferase Luminescence Assay indicated a lower oxidative stress in the effluent samples. Overall, the present study demonstrates that chemical analyses are limited in their ability to predict or explain reductions in the toxicity of treated wastewater. There are thus advantages to using a combination of chemical analyses and in vitro bioassays to monitor the treatment efficiency of wastewater treatment plants and to predict the potential impacts of wastewater discharges into receiving waters.
Efficacy of Platelet-Rich Plasma and Plasma for Symptomatic Treatment of Knee Osteoarthritis: A Double-Blinded Placebo-Controlled Randomized Clinical Trial.
Authors: Dório Murillo , Pereira Rosa Maria Rodrigues , Luz Alexandre Galeno Branco , Deveza Leticia Alle , Oliveira Ricardo Manoel , Fuller Ricardo 
Published: May 2021

Abstract
Background: Platelet-rich plasma (PRP) has a still conflicting efficacy for knee osteoarthritis (KOA) and might be a minimally invasive and safe treatment alternative. The potential benefit of only plasma (non-enriched) has never been investigated. Our aim was to evaluate the efficacy of intra-articular platelet-rich plasma (PRP) and plasma to improve pain and function in participants with KOA over 24 weeks. Methods: Randomized, double-blind, placebo-controlled trial with 3 groups (n = 62): PRP (n = 20), plasma (n = 21) and saline (n = 21). Two ultrasound-guided knee injections were performed with a 2-week interval. The primary outcome was visual analog scale 0-10 cm (VAS) for overall pain at week 24, with intermediate assessments at weeks 6 and 12. Main secondary outcomes were: KOOS, OMERACT-OARSI criteria and TUGT. Results: At baseline, 92% of participants were female, with a mean age of 65 years, mean BMI of 28.0 Kg/m2and mean VAS pain of 6.2 cm. Change in pain from baseline at week 24 were -2.9 (SD 2.5), -2.4 (SD 2.5) and -3.5 cm (SD 3.3) for PRP, plasma and saline, respectively (p intergroup = 0.499). There were no differences between the three groups at weeks 6 and 12. Similarly, there were no differences between groups regarding secondary outcomes. The PRP group showed higher frequency of adverse events (65% versus 24% and 33% for plasma and saline, respectively, p = 0.02), mostly mild transitory increase in pain.Conclusions: PRP and plasma were not superior to placebo for pain and function improvement in KOA over 24 weeks. The PRP group had a higher frequency of mild transitory increase in pain.Trial registration: ClinicalTrials.gov, NCT03138317, 03/05/2017.
Neurokinin 3 Receptor Effects on Cognitive Behaviour in a Rat Model of Alzheimer's Disease
Authors: Koca Raviye Ozen , Gormus Zulfikare Isik Solak , Solak Hatice , Koc Aynur , Kılınç İbrahim , İyisoy Sinan , Kutlu Selim 
Published: May 2021

Abstract
Alzheimer's disease (AD) is accepted as a form of progressive and irreversible dementia. It is known that cholinergic systems are commonly affected in AD. Neurokinin 3 receptor (NK3R) is involved in learning and memory related processes. Activation of NK3R is known to facilitate the release of many neurotransmitters such as acetylcholine (Ach), dopamine (DA), noradrenaline (NA). Based on this information, hypothesis of the study that NK3R agonism can have positive effects on behavioral and learning parameters through cholinergic and catecholaminergic mechanisms. The aim of this study was to investigate the effects of NK3R agonist senktide on cognitive and neurobehavioral mechanisms in model of AD.50 adult male Wistar albino rats were obtained; Control, AD, Control+NK3R agonist, AD+NK3R agonist, AD+NK3R agonist+antagonist groups. AD model was established by administering Aβ1-42 intracerebroventricularly. Following NK3R agonist+antagonist injections, open field (OF) and Morris water maze (MWM) were applied for behavioral and learning parameters. Hippocampus and cortex tissues were extracted. Analysis of cholinergic mechanisms from these tissues were performed by ELISA method.Group-time effect was significant in OF (p<0.05). Distance moved parameter was significant between groups in MWM (p<0.05). There was a significant difference between groups in AChE and ChAT levels (p<0.05). DA concentrations of brainstem samples were significant (p<0.05). There was no significant difference in NA concentration (p>0.05). NK3R agonists were found to be effective in improving cognitive functions in rats with AD pathology. It has been observed that positive effects on learning and memory performances can be mediated by cholinergic mechanisms.
Evaluation of Parental Knowledge, Attitudes and Practices Regarding Antibiotic Use in Acute Upper Respiratory Tract Infections in Children in a Tertiary Care Hospital in Turkey
Authors: Albayrak Aslınur , Karakaş Nazmi Mutlu , Karahalil Bensu 
Published: May 2021

Abstract
BackgroundUpper respiratory tract infections (URTIs) are common in children. Most URTIs have been shown to be of viral origin. Inappropriate use of antibiotics is one of the main causes of antibiotic resistance. The problem of unnecessary antibiotic use among children is a concern for antibiotic resistance in low- and middle-income developing countries.MethodsOur study is a cross-sectional survey study. It was carried out between 14 December 2020 and 1 April 2021 for parents over 18 years of age with a child under 18 years’ old who applied to the general pediatrics outpatient clinics of Gazi University Faculty of Medicine Hospital Department of Pediatrics.Results554 parents responded to the questionnaire. A total of 15.7% of parents stated to use antibiotics in any child with fever. 37% of parents believed that antibiotics could cure infections caused by viruses. 6.3% of parents declared that they put pressure on pediatricians to prescribe antibiotics. 85.6% of the parents stated that they never gave their children non-prescription antibiotics when they had a high fever. 80.9% of them declared that they never used past antibiotics in the presence of a new infection. Female gender, high level of education, high income level and low number of antibiotics used in the last 1 year were found to be statistically significant with the better knowledge level of the parents (p <0.05).ConclusionAccording to the results of our study of parents' lack of knowledge about antibiotics in Turkey, though generally it shows proper attitude and behavior. It shows that some of the restrictions imposed by the National Action Plan are partially working. However, it is still necessary to continue to inform parents, pediatricians and pharmacists about the use of antibiotics, and to be more sensitive about the prescribing of antibiotics, and if necessary, sanctions should be imposed by the state in order to prevent unnecessary antibiotic prescriptions.