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Tuning the optoelectronic properties for small organic compounds as organic solar cell applications

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Optoelectronics Letters 2024年第7期20卷 412-417页

作者： Hussein K.Mejbel Lafy f.Al-Badry Department of physics College of Education for Pure Science University of Thi-Qar Department of physics College of Science University of Thi-Qar

Recently, organic solar cells have attracted the attention of many researchers owing to flexibility, low cost, light weight and large-area applications, and significant improvement in the power conversion efficiency（pCE）. In this work, we designed chains from organic compounds as donors and replaced the core unit in each series with a variety of acceptors in order to enhance their optical and electronic characterization and performance for power conversion efficiencies in organic solar cells. We utilized density functional theory（DfT） and time-dependent density functional theory（TD-DfT） to investigate the geometry optimization by using the Gaussian 09 program. Both electronic and optical properties were determined, which involve the lowest unoccupied molecular orbital（LUMO） and the highest occupied molecular orbital（HOMO） levels, the band gap energy, maximum absorption wavelength(λ;max;), open circuit voltage(V;oc;), and light harvesting efficiency（LHE）. Our evaluation denotes that the small compounds suggested are predicted to exhibit the best performance compared to the first series（SC1）, like a lower band gap energy, a lower HOMO energy level, a greater absorption range, and a larger pCE.

关键词： A

Adsorption of yttrium(Y^(3+)) and concentration of rare earth elements from phosphogypsum using chitin and chitin aerogel

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Journal of Rare Earths 2024年第4期42卷 775-782页

作者： Glaydson S.dos Reis Diana pinto Sabrina f.Lütke Eder C.Lima Luis f.O.Silva Irineu A.S.De Brum Guilherme L.Dotto Department of forest Biomaterials and Technology Biomass Technology Centre Swedish University of Agricultural SciencesUmeaE13Swedn Universidad De La Costa Calle 58#55-66080002BarranquillaAtlanticoColombia Research Group on Adsorptive and Catalytic process Engineering(ENGEpAC) Federal University of Santa MariaAv.Roraima100079705900Santa MariaRSBrazil Institute of Chemistry Federal University of Rio Grande do Sul90040060Porto AlegreBrazil

Chitin powder and chitin-aerogel were prepared from shrimp wastes and used to uptake Y^(3+)from aqueous solutions and concentrate this rare earth element from phosphogypsum(pG).Chitin aerogel displays a specific surface area of 945 m^(2)/g,while chitin powder is 3.6 m^(2)/g,which largely influences its adsorption *** the adsorption in synthetic solutions,the effect of pH on Y^(3+)removal is strong for chitin powder *** contrast,no big pH influence was detected for chitin *** interactions and chelation can highlight the proposed mechanism of Y^(3+)on chitin adsorbents for the powder and ***,in addition to these interactions,pore filling/pore diffusion is the main mechanism of Y^(3+)removal in the chitin *** aerogel is efficient in concentrating 8 times the Y^(3+)from pG,a very complex *** complex chitin aerogel-Y^(3+)can be a secondary source of rare earth elements for other applications.

关键词： Rare earths Sustainable material Chitin powder Chitin porous aerogel Yttrium adsorption and recovery

Efficacy evaluation of standardized Rheum rhaponticum root extract(ERr 731®)on symptoms of menopause:A systematic review and meta-analysis study

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Journal of Biomedical Research 2024年第3期38卷 278-286页

作者： Vishal p.Dubey Varun p.Sureja Dharmeshkumar B.Kheni Department of Scientific and Medical Affairs Sundyota Numandis Probioceuticals Pvt.Ltd.AhmedabadGujarat 380015India

Menopause is characterized by various physical,mental and emotional *** 731®is a standardized extract from Rheum rhaponticum root and has been clinically studied for its role in reducing menopausal *** current systematic review and meta-analysis aimed to evaluate the efficacy of ERr 731®supplementation in alleviating the severity of menopausal *** this review,we searched across three online databases up to March 2023,evaluated the quality of the included studies by the physiotherapy Evidence Database scale,and assessed the risk of bias by the Cochrane Risk of Bias *** then performed a metaanalysis using RevMan software to estimate the pooled mean difference(MD).The study protocol was registered in the prospective Register of Systematic Reviews(CRD42023416808).After screening and evaluation,we included four high-quality studies(a total of 390 participants;the ERr 731®group:193 participants;the control group:197 participants)in the *** results showed that ERr 731®supplementation significantly reduced the Menopause Rating Scale score(MD:–15.12;ppared with control *** analysis revealed no effect of individual studies on the overall pooled estimate or overall observed *** current review provides evidence that ERr 731®supplementation is effective in reducing menopause *** bias and high heterogeneity in the results warrant further clinical studies.

关键词： menopause Rheum rhaponticum hot flashes systematic review

Clinical studies in COVID-related olfactory disorders:Review of an institutional experience

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World Journal of Otorhinolaryngology-Head and Neck Surgery 2024年第2期10卷 129-136页

作者： Theresa Tharakan Dorina Kallogjeri Jay f.piccirillo Department of Otolaryngology-Head and Neck Surgery Clinical Outcomes Research OfficeSchool of MedicineWashington University in St LouisSt LouisMissouriUSA

Objective:To share a single institutional experience with clinical research on COVID-related olfactory dysfunction(OD).Data Source/Method:Narrative review of published original data and ongoing clinical trials on COVID-related OD at Washington University from 2020 to ***:There were three new diagnostic-/patient-reported outcome measures developed and *** report five clinical trials of interventions for COVID-related olfactory disorders:combined Visual-Olfactory Training(VOLT)with patient-preferred scents versus standard olfactory training(VOLT trial),oral gabapentin versus placebo(Gabapentin for the Relief of Acquired Chemosensory Experience trial),nasal theophylline irrigations versus placebo(Smell Changes and Efficacy of Nasal Theophylline trial),stellate ganglion block(single-arm),and mindfulness-based stress reduction(MBSR)versus lifestyle intervention(MBSR trial).Conclusions:Initial intervention trials for COVID-related OD have shown potential for improving subjective and objective olfactory ***,there remains no gold standard treatment that definitively outperforms placebo in controlled ***,continued investigation of novel therapeutic strategies for COVID-related OD is necessary to maximize olfactory outcomes for affected patients.

关键词： chemosensory disorders COVID olfactory dysfunction

Enhancing high-temperature oxidation resistance(at 1000 °C) of nickel superalloy obtained by laser powder bed fusion via reactive electric spark treatment

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Transactions of Nonferrous Metals Society of China 2024年

作者： S.K.MUKANOV M.I.pETRZHIK A.E.KUDRYASHOV E.A.NAUMOVA f.A.BASKOV p.A.LOGINOV E.A.LEVASHOV National University of Science and Technology MISIS

The high-temperature oxidation resistance of the nickel superalloy grown by the Laser powder Bed fusion (LpBf) has been significantly increased as a result of in-situ formation of a thermal barrier layer (α-Al2O3+ CaMoO4) during oxidative annealing of surface layers modified by electric spark treatment (EST). The reactive EST of the LpBf-built items based on nickel Ep741Np alloy was carried out with low-melting Al-12%Si， Al-6%Ca-0.6%Si and Al-7%Ca-1%Mn electrodes. It was found that at EST done by Al-7%Ca-1%Mn electrode an intermetallic (β-NiAl + γ’-Ni3Al) 15 microns thick layer reinforced by spherical oxide (CaMe)O nanoparticles was formed. formation of that structure increases the wear resistance of LpBf nickel superalloy by 4.5 times. further oxidative annealing at 1000 °C lead to a formation of continuous two-layered coating with an inner layer of α-Al2O3and an outer layer of CaMoO4， which together act as an effective barrier preventing the diffusion of oxygen into the volume of the superalloy.

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Spalling characteristics of high-temperature treated granitic rock at different strain rates

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第4期16卷 1280-1288页

作者： L.f.fan Q.H.Yang X.L.Du The Key Laboratory of Urban Security and Disaster Engineering of Ministry of Education Beijing University of TechnologyBeijing100124China

The dynamic spalling characteristics of rock are important for stability analysis in rock *** paper presented an experimental investigation on the dynamic spalling characteristics of granite with different temperatures and strain rates.A series of dynamic spalling tests with different impact velocities were conducted on thermally treated granite at different *** dynamic spalling strengths of granite with different temperatures and strain rates were determined.A model was proposed to correlate the dynamic spalling strength of granite,high temperature and strain *** results show that the spalling strength of granite decreases with increasing ***,the spalling strength of granite with a higher strain rate is larger than that with a lower strain *** proposed model can describe the relationship among dynamic spalling strength of granite,high temperature and strain rate.

关键词： Dynamic spalling characteristics High temperature Strain rate Dynamic loading Granite

Biomass gasification,catalytic technologies and energy integration for production of circular methanol:New horizons for industry decarbonisation

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Journal of Environmental Sciences 2024年第6期140卷 306-318页

作者： Luis f.Bobadilla Lola Azancot Miriam González-Castañ Estela Ruíz-López Laura pastor-pérez francisco J.Durán-Olivencia Runping Ye Katie Chong paula HBlanco-Sánchez Zenthao Wu Tomás R.Reina JoséA.Odriozola Departamento de Química Inorgánica e Instituto de Ciencia de Materiales de Sevilla Centro Mixto CSIC-Universidad de SevillaAvda.Américo Vespucio 49Sevilla 41092Spain Departamento de Ingeniería Universidad Loyola AndalucíaAvda.de Las Universidades s/nSevilla 41704Spain Key Laboratory of Jiangxi province for Environment and Energy Catalysis School of Chemistry and Chemical EngineeringNanchang UniversityNanchang330031China Energy and Bioproducts Research Institute(EBRI) Aston UniversityBirminghamB47ETUnited Kingdom Department of Chemical and process Engineering University of SurreyGuildfordGU27XHUnited Kingdom

The Intergovernmental panel on Climate Change(IpCC)recognises the pivotal role of renewable energies in the future energy system and the achievement of the zero-emission *** implementation of renewables should provide major opportunities and enable a more secure and decentralised energy supply *** fuels provide long-term solutions for the transport sector,particularly for applications where fuels with high energy density are *** addition,it helps reducing the carbon footprint of these sectors in the *** on biomass characteristics feedstock is essential for scaling-up gasification from the laboratory to *** review deals with the transformation biogenic residues into a valuable bioenergy carrier like biomethanol as the liquid sunshine based on the combination of modified mature technologies such as gasification with other innovative solutions such as membranes and microchannel *** abatement is a critical process in product gas upgrading since tars compromise downstream processes and equipment,for this,membrane technology for upgrading syngas quality is discussed in this *** reactor technology with the design of state-of-the-art multifunctional catalysts provides a path to develop decentralised biomethanol synthesis from biogenic ***,the development of a process chain for the production of(i)methanol as an intermediate energy carrier,(ii)electricity and(iii)heat for decentralised applications based on biomass feedstock flexible gasification,gas upgrading and methanol synthesis is analysed.

关键词： Biogenic residues Gasification Biomethanol Circular Economy Microreactors

Mechanisms behind the environmental sensitivity of carbon fiber reinforced polytetrafluoroethylene(pTfE)

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friction 2024年第5期12卷 997-1015页

作者： pontus JOHANSSON p.MARKLUND M.BJORLING Y.SHI Division of Machine Element LuleåUniversity of TechnologyLuleåSE-97187Sweden

Carbon fiber reinforced polytetrafluoroethylene (Cf/pTfE) composites are known for their exceptional tribological performance when sliding against steel or cast iron in inert gas environments. Compared to experiments in humid air, about an order of magnitude lower wear rate and several times lower coefficient of friction have been reported for tests conducted in dry nitrogen and hydrogen. Moreover, trace moisture has been shown to affect the friction and wear significantly of this tribosystem, although a possible effect of oxygen cannot be ruled out due to uncertainties regarding the oxygen concentrations. While several studies have pointed out the environmental sensitivity of Cf/pTfE, the understanding of the underlying mechanisms are very limited. The objective of this research is to investigate the individual and combined effect of oxygen and moisture on the tribological behavior of Cf/pTfE sliding against steel. Additionally, this study aims to elucidate the underlying mechanisms that govern the environmental sensitivity of the system. Climate-controlled three-pin-on-disc experiments were conducted in nitrogen atmospheres at various concentrations of oxygen and moisture. The tribological results clearly demonstrate that both moisture and oxygen contribute to increased friction and wear. However, the adverse effect was much more pronounced for oxygen than moisture. A qualitative method was developed to estimate the tribofilm coverage on the Cf/pTfE surface. Results showed strong correlation between high coverage of strongly adhered tribofilm and low wear rate. Moreover, a loosely adhered tribofilm was observed on top of the Cf/pTfE surface in presence of moisture. fTIR analysis indicated that the loosely adhered tribofilm found in the moisture-enriched environment contained a significant amount of adsorbed water, which may explain the lower coefficient of friction in presence of moisture compared to oxygen. The adsorbed water in the loosely adhered tribofilm coul

关键词： polymer composite tribofilm tribochemistry atmosphere

Recovery rates of persistent post-COVID-19 olfactory dysfunction using psychophysical assessment:A longitudinal cohort study

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World Journal of Otorhinolaryngology-Head and Neck Surgery 2024年第2期10卷 79-87页

作者： Jeremy p.Tervo patricia T.Jacobson Brandon J.Vilarello Tiana M.Saak francesco f.Caruana Liam W.Gallagher Joseph B.Gary David A.Gudis paule V.Joseph D.p.Devanand Terry E.Goldberg Jonathan B.Overdevest Columbia University Vagelos College of physicians and Surgeons New YorkNew YorkUSA Department of Otolaryngology-Head and Neck Surgery New York-Presbyterian/Columbia University Irving Medical CenterNew YorkNew YorkUSA Department of Otolaryngology-Head and Neck Surgery University of PittsburghPittsburghPennsylvaniaUSA Department of Otolaryngology-Head and Neck Surgery University of MinnesotaMinneapolisMinnesotaUSA National Institute of Alcohol Abuse and Alcoholism Section of Sensory Science and Metabolism&National Institute of Nursing ResearchBethesdaMarylandUSA New York-presbyterian/Columbia University Irving Medical Center New YorkNew YorkUSA

Objectives:persistent olfactory dysfunction(OD)following loss of smell associated with SARS-CoV-2 infection is a major feature of long *** on the prevalence of persistent OD predominantly rely on self-reported olfactory *** studies have tracked longitudinal rates of recovery using psychophysical assessment among patients presenting for evaluation of persistent OD beyond a window of acute *** anchored in standardized testing methods are needed to counsel patients who fail to acutely regain their sense of *** study aims to quantify the degree of persistent OD in post-COVID-19 patients who experience subjective and psychophysical ***:We grouped participants presenting for OD evaluation into cohorts based on both subjective and psychophysical olfactory status at a baseline assessment and assessed their olfactory abilities with a visual analogue scale and the Sniffin'Sticks extended test at baseline and 1-year time *** had confirmed a history of COVID-19 by lab evaluation or clinical diagnosis if lab evaluation was not ***:Baseline olfactory evaluation was completed by 122 participants,53 of whom completed the 1-year follow-up *** participants presenting with perceived OD,74.5%had confirmed psychophysical OD at baseline,with 55.1%at 1-year *** had reliable trends in self-rated versus psychophysically tested olfactory function at both time *** total threshold,discrimination,and identification(TDI)score improved by+3.25 points in the cohort with psychophysical OD(p=0.0005),with this improvement largely attributable to an increase in median threshold scores(+2.75 points;p=0.0004).Conclusions:OD persists in a significant number of patients who fail to acutely recovery their sense of smell after COVID-19,with many demonstrating lingering deficits at *** in threshold,but not discrimination or identification,most significantly mediate improvement

关键词： long COVID olfaction post-COVID condition smell dysfunction