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Machine learning empowers efficient design of ternary organic solar cells with PM6 donor

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Journal of Energy chemistry 2025年第1期100卷 337-347页

作者： Kiran A.Nirmal Tukaram d.dongale Santosh S.Sutar Atul c.Khot Tae Geun Kim School of Electrical Engineering Korea UniversityAnam-ro 145Seongbuk-guSeoulRepublic of Korea computational Electronics and Nanoscience Research Laboratory School of Nanoscience and BiotechnologyShivaji UniversityKolhapur 416004India Yashwantrao chavan School of Rural development Shivaji UniversityKolhapur 416004India

Organic solar cells(OScs) hold great potential as a photovoltaic technology for practical ***, the traditional experimental trial-and-error method for designing and engineering OScs can be complex, expensive, and time-consuming. Machine learning(ML) techniques enable the proficient extraction of information from datasets, allowing the development of realistic models that are capable of predicting the efficacy of materials with commendable accuracy. The PM6 donor has great potential for high-performance OScs. However, it is crucial for the rational design of a ternary blend to accurately forecast the power conversion efficiency(PcE) of ternary OScs(TOScs) based on a PM6 ***, we collected the device parameters of PM6-based TOScs and evaluated the feature importance of their molecule descriptors to develop predictive models. In this study, we used five different ML algorithms for analysis and prediction. For the analysis, the classification and regression tree provided different rules, heuristics, and patterns from the heterogeneous dataset. The random forest algorithm outperforms other prediction ML algorithms in predicting the output performance of PM6-based TOScs. Finally, we validated the ML outcomes by fabricating PM6-based TOScs. Our study presents a rapid strategy for assessing a high PcE while elucidating the substantial influence of diverse descriptors.

关键词： Machine learning Ternary organic solarcells PM6 donor PcE

Tailored design of novel co0-coδ+dual phase nanoparticles for selective cO2 hydrogenation to ethanol

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Journal of Environmental Sciences 2025年第3期149卷 598-615页

作者： Subhasis das Ganapati d.Yadav department of chemical Engineering Institute of Chemical TechnologyNathalal Parekh MargMatunga 400019MumbaiIndia

catalytic hydrogenation of cO_(2)to ethanol is a promising solution to address the greenhouse gas(GHG)emissions,but many current catalysts face efficiency and cost *** based catalysts are frequently examined due to their abundance,cost-efficiency,and effectiveness in the reaction,where managing the co^(0)to co^(δ+)ratio is *** this study,we adjusted support nature(Al_(2)O_(3),MgO-MgAl_(2)O_(4),and MgO)and reduction conditions to optimize this balance of co^(0)to co^(δ+)sites on the catalyst surface,enhancing ethanol *** selectivity of ethanol reached 17.9%in a continuous flow fixed bed micro-reactor over 20 mol%co@MgO-MgAl_(2)O_(4)(coMgAl)catalyst at 270°c and 3.0 MPa,when reduced at 400°c for 8 *** results coupled with activity analysis confirmed that mild reduction condition(400°c,10%H_(2)balance N_(2),8 h)with intermediate metal support interaction favoured the generation of partially reduced co sites(co^(δ+)and co^(0)sites in single atom)over MgO-MgAl_(2)O_(4)surface,which promoted ethanol synthesis by coupling of dissociative(cHx^(∗))/non-dissociative(cHxO^(∗))intermediates,as confirmed by density functional theory ***,the coMgAl,affordably prepared through the coprecipitation method,offers a potential alternative for cO_(2)hydrogenation to yield valuable chemicals.

关键词： cO_(2)hydrogenation Ethanol co-based catalysts Metal support ineraction dFT analysis

Acquired sensorineural hearing loss,oxidative stress,and microRNAs

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Neural Regeneration Research 2025年第9期20卷 2513-2519页

作者： desmond A.Nunez Ru c.Guo division of Otolaryngology–Head&Neck Surgery Department of SurgeryFaculty of MedicineThe University of British ColumbiaVancouverBCCanada division of Otolaryngology–Head&Neck Surgery Gordon&Leslie Diamond Health Care CentreVancouver General HospitalVancouverBCCanada Faculty of Medicine–The University of British columbia VancouverBCCanada

Hearing loss is the third leading cause of human ***-related hearing loss,one type of acquired sensorineural hearing loss,is largely responsible for this escalating global health ***-induced,ototoxic,and idiopathic sudden sensorineural are other less common types of acquired hearing *** etiology of these conditions is complex and multi-fa ctorial involving an interplay of genetic and environmental *** stress has recently been proposed as a likely linking cause in most types of acquired sensorineural hearing *** non-coding RNA sequences known as microRNAs(miRNAs)have increasingly been shown to play a role in cellular hypoxia and oxidative stress responses including promoting an apoptotic *** hair cell death is a central histopathological finding in sensorineural hearing *** these cells do not regenerate in humans,it underlies the irreversibility of human age-related hearing *** EMBASE,Ovid MEdLINE,Web of Science core collection,and *** databases over the period August 1,2018 to July 31,2023 were searched with"hearing loss,""hypoxamiRs,""hypoxia,""microRNAs,""ischemia,"and"oxidative stress"text words for English language primary study publications or registered clinical *** red clinical trials known to the senior author we re also assessed.A total of 222studies were thus *** excluding duplicates,editorials,retra ctions,secondary research studies,and non-English language articles,39 primary studies and clinical trials underwent full-text *** resulted in 11 animal,in vitro,and/or human subject journal articles and 8 registered clinical trial database entries which form the basis of this narrative *** miR-34a and miR-29b levels increase with age in *** miRNAs were demonstrated in human neuroblastoma and murine cochlear cell lines to target Sirtuin 1/peroxisome proliferato r-activated receptor gamma coactivator-1-alpha(SIRT1/P Gc-1α),SIRT

关键词： hearing loss hypoxia microRNAs oxidative stress sensorineural

Ultra‑Transparent and Multifunctional IZVO Mesh Electrodes for Next‑Generation Flexible Optoelectronics

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Nano-Micro Letters 2025年第1期17卷 293-309页

作者： Kiran A.Nirmal Tukaram d.dongale Atul c.Khot chenjie Yao Nahyun Kim Tae Geun Kim School of Electrical Engineering Korea UniversityAnam‑ro 145Seongbuk‑guSeoulRepublic of Korea computational Electronics and Nanoscience Research Laboratory School of Nanoscience and BiotechnologyShivaji UniversityKolhapur 416004India

Mechanically durable transparent electrodes are essential for achieving long-term stability in flexible optoelectronic ***,they are crucial for applications in the fields of energy,display,healthcare,and soft *** meshes represent a promising alternative to traditional,brittle,metal oxide conductors due to their high electrical conductivity,optical transparency,and enhanced mechanical *** this paper,we present a simple method for fabricating an ultra-transparent conducting metal oxide mesh electrode using selfcracking-assisted *** this method,we produced an electrode with ultra-transparency(97.39%),high conductance(Rs=21.24Ωsq^(−1)),elevated work function(5.16 eV),and good mechanical *** also evaluated the effectiveness of the fabricated electrodes by integrating them into organic photovoltaics,organic light-emitting diodes,and flexible transparent memristor devices for neuromorphic computing,resulting in exceptional device *** addition,the unique porous structure of the vanadium-doped indium zinc oxide mesh electrodes provided excellent flexibility,rendering them a promising option for application in flexible optoelectronics.

关键词： Self-cracking template Vanadium-doped indium zinc oxide mesh Organic solar cells Organic light-emitting diodes Flexible transparent memory

Multiple sclerosis is at a checkpoint: advancing the program

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Neural Regeneration Research 2025年第3期20卷 811-812页

作者： Brandon c.Smith Jessica L.Williams department of Neurosciences Lerner Research InstituteCleveland ClinicClevelandOHUSA department of Biological Geologicaland Environmental SciencesCleveland State UniversityClevelandOHUSA

Multiple sclerosis(MS) is a chronic inflammatory and demyelinating disease of the central nervous system(cNS). Patients with MS experience sensory and motor function loss due to myelin and/or axon damage perpetuated b... 详细信息

关键词： Hauser sclerosis damage

Embeddings of Generalised Morrey Smoothness Spaces

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Acta Mathematica Sinica,English Series 2025年第1期41卷 413-456页

作者： dorothee d.Haroske Zhen Liu Susana d.Moura Leszek Skrzypczak Institute of Mathematics Friedrich Schiller University JenaJena 07737Germany University of coimbra Department of MathematicsCMUCCoimbra 3000-143Portugal Faculty of Mathematics&computer Science Adam Mickiewicz Universityul.Uniwersytetu Pozna´nskiego 4Pozna´n 61-614Poland

We study embeddings between generalised Triebel–Lizorkin–Morrey spacesε_(ϕ,p,q)^(s)(R^(d))and within the scales of further generalised Morrey smoothness spaces like N_(ϕ,p,q)^(s)(R^(d)),B_(p,q)^(s,ϕ)(R^(d))and F_(p,q)^(s,ϕ)(R^(d)).The latter have been investigated in a recent paper by the first two authors(2023),while the embeddings of the scale N_(ϕ,p,q)^(s)(R^(d))were mainly obtained in a paper of the first and last two authors(2022).Now we concentrate on the characterisation of the spacesε_(ϕ,p,q)^(s)(R^(d)).Our approach requires a wavelet characterisation of those spaces which we establish for the system of daubechies’*** we prove necessary and sufficient conditions for the embeddingε_(ϕ1,p1,q1)^(s1)(R^(d))→ε_(2ϕ2,p2,q2)^(s)(R^(d)).We can also provide some almost final answer to the question whenε_(ϕ,p,q)^(s)(R^(d))is embedded into c(R^(d)),complementing our recent findings in case of N_(ϕ,p,q)^(s)(R^(d)).

关键词： Generalised Morrey spaces generalised Besov-type space generalised Triebel–Lizorkintype space generalised Besov–Morrey space generalised Triebel-Lizorkin-Morrey space embeddings wavelet decompositions

A comprehensive investigation on nonlinear vibration and bending characteristics of bio-inspired helicoidal laminated composite structures

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 81-100页

作者： S.SAURABH R.KIRAN d.SINGH R.VAISH V.S.cHAUHAN School of Mechanical and Materials Engineering Indian Institute of Technology Mandi

Bio-inspired helicoidal composite laminates, inspired by the intricate helical structures found in nature, present a promising frontier for enhancing the mechanical properties of structural designs. Hence, this study provides a comprehensive investigation into the nonlinear free vibration and nonlinear bending behavior of bio-inspired composite plates. The inverse hyperbolic shear deformation theory(IHSdT) of plates is employed to characterize the displacement field, with the incorporation of Green-Lagrange nonlinearity. The problem is modeled using the c0finite element method(FEM), and an in-house code is developed in the MATLAB environment to solve it numerically. Various helicoidal layup configurations including helicoidal recursive(HR), helicoidal exponential(HE), helicoidal semi-circular(HS), linear helicoidal(LH), and Fibonacci helicoidal(FH)with different layup sequences and quasi-isotropic configurations are studied. The model is validated, and parametric studies are conducted. These studies investigate the effects of layup configurations, side-to-thickness ratio, modulus ratios, boundary conditions, and loading conditions at different load amplitudes on the nonlinear vibration and nonlinear bending behaviors of bio-inspired composite plates. The results show that the laminate sequence exerts a substantial impact on both nonlinear natural frequencies and nonlinear bending behaviors. Moreover, this influence varies across different side-to-thickness ratios and boundary conditions of the bio-inspired composite plate.

关键词： bio-inspired composite plate finite element method (FEM) Green-Lagrange helicoidal inverse hyperbolic shear deformation theory (IHSdT) nonlinear O322

On the interfacial behavior of a one-dimensional hexagonal piezoelectric quasicrystal film based on the beam theory

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Applied Mathematics and Mechanics(English Edition) 2025年第2期46卷 289-304页

作者： Wenkai ZHANG c.S.LU Minghao ZHAO cuiying FAN Huayang dANG School of Mechanics and Safety Engineering Zhengzhou University School of civil and Mechanical Engineering Curtin University School of Mechanical Engineering Zhengzhou University

In this paper, the mechanical response of a one-dimensional (1d) hexagonal piezoelectric quasicrystal (PQc) thin film is analyzed under electric and temperature loads. Based on the Euler-Bernoulli beam theory, a theoretical model is proposed, resulting in coupled governing integral equations that account for interfacial normal and shear stresses. To numerically solve these integral equations, an expansion method using orthogonal chebyshev polynomials is employed. The results provide insights into the interfacial stresses, axial force, as well as axial and vertical deformations of the PQc ***, fracture criteria, including stress intensity factors, mode angles, and the Jintegral, are evaluated. The solution is compared with the membrane theory, neglecting the normal stress and bending deformation. Finally, the effects of stiffness and aspect ratio on the PQc film are thoroughly discussed. This study serves as a valuable guide for controlling the mechanical response and conducting safety assessments of PQc film systems.

关键词： one-dimensional (1d) hexagonal piezoelectric quasicrystal (PQc) film beam theory electric and temperature loads chebyshev polynomial interfacial behavior O343.1

dihydropyrimidine dehydrogenase polymorphisms in patients with gastrointestinal malignancies and their impact on fluoropyrimidine tolerability: Experience from a single Italian institution

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World Journal of Gastrointestinal Oncology 2025年第1期17卷 101-109页

作者： Mariarosaria d'Amato Gennaro Iengo Nicola Massa chiara carlomagno department of Oncology Ospedale San Rocco ASL CasertaSessa Aurunca 81037CampaniaItaly department of clinical Medicine and Surgery University of Naples Federico IINaples 80131CampaniaItaly

BAcKGROUNd Fluoropyrimidines are metabolized in the liver by the enzyme dihydropyrimidine dehydrogenase(dPd),encoded by the dPYd *** 7%of the European population is a carrier of dPYd gene polymorphisms associated with reduced dPd enzyme *** To assess the prevalence of dPYd polymorphisms and their impact on fluoropyrimidine tolerability in Italian patients with gastrointestinal *** A total of 300 consecutive patients with a diagnosis of gastrointestinal malignancy and treated with a fluoropyrimidine-based regimen were included in the analysis and divided into two cohorts:(1)149 patients who started fluoropyrimidines after dPYd testing;and(2)151 patients treated without dPYd *** the patients in cohort A,15%tested only the dPYd2A polymorphism,19%tested four polymorphisms(dPYd2A,HapB3,c.2846A>T,and dPYd13),and 66%tested five polymorphisms including *** Overall,14.8%of patients were found to be carriers of a dPYd variant,the most common being dPYd6(12.1%).Patients in cohort A reported≥G3 toxicities(P=0.00098),particularly fewer nonhematological toxicities(P=0.0028)compared with cohort B,whereas there was no statistically significant difference between the two cohorts in hematological toxicities(P=0.6944).Significantly fewer chemotherapy dose reductions(P=0.00002)were observed in cohort A compared to cohort B,whereas there was no statistically significant differences in chemotherapy *** Although this study had a limited sample size,it provides additional information on the prevalence of dPYd polymorphisms in the Italian population and highlights the role of pharmacogenetic testing to prevent severe toxicity.

关键词： dihydropyrimidine dehydrogenase dPYd polymorphisms Fluoropyrimidine caucasian population Gastrointestinal cancers