bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐performance perovskite/silicon heterojunction solar cells enabled by industrially compatible postannealing
Authors: Wang Guangyi , Yue Zongyi , Huang Zengguang , Liu Wenzhu , Tong Rui , Yin Haipeng , Yang Lifei , Yu Fucheng , Zhang Yuanyuan , Sun Zongyang , Zhong Sihua 
Published: April 2023

AbstractIn recent years, developing dopant‐free carrier‐selective contacts, instead of heavily doped Si layer (either externally or internally), for crystalline silicon (c‐Si) solar cells have attracted considerable interests with the aim to reduce parasitic light absorption and fabrication cost. However, the stability still remains a big challenge for dopant‐free contacts, especially when thermal treatment is involved, which limits their industrial adoption. In this study, a perovskite material ZnTiO3 combining with an ultrathin (~1 nm) SiO2 film and Al layer is used as an electron‐selective contact, forming an isotype heterojunction with n‐type c‐Si. The perovskite/c‐Si heterojunction solar cells exhibit a performance‐enhanced effect by postmetallization annealing when the annealing temperature is 200–350°C. Thanks to the postannealing treatment, an impressive efficiency of 22.0% has been demonstrated, which is 3.5% in absolute value higher than that of the as‐fabricated solar cell. A detailed material and device characterization reveal that postannealing leads to the diffusion of Al into ZnTiO3 film, thus doping the film and reducing its work function. Besides, the coverage of SiO2 is also improved. Both these two factors contribute to the enhanced passivation effect and electron selectivity of the ZnTiO3‐based contact and hence improve the cell performance.
High strength, recyclable and shape memory polyhydroxyurethanes with intrinsic fluorescent properties
Authors: Ou Yujing , Zhang Ziming , Tang Zhangzhang , Yang Zenghui , Zhang Yaoming , Tao Liming , Wang Tingmei , Wang Qihua , Chen Shoubing 
Published: April 2023

AbstractPolyhydroxyurethanes (PHUs), which are synthesized through the aminolysis of cyclic carbonates, avoid the use of toxic isocyanates compared with traditional polyurethanes (PUs) and have aroused great interest. The large number of hydroxyl groups in the network endows PHUs with unique features, such as recyclable properties and fluorescent properties. To establish the high performance and multifunctionality of PHUs, we designed a molecular structure to fabricate PHUs with mechanical robustness, shape memory properties, fluorescent properties, and recyclable properties. The yielded PHU crosslinked by the quaternary thiol and weak but dense hydrogen bonds (H‐bonds) shows unprecedented high mechanical properties with a tensile Young's modulus of 3.13 GPa, comparable to that of polyimide, a tensile strength of 59.2 MPa at room temperature and an excellent toughness of 27.9 MJ/m3 at 50°C, and good damping properties (tanδ ≥ 0.3, temperature range of 35.2°C). Interestingly, fluorescence caused by the aggregation of carbamate within PHUs allows it to be applied for damage self‐reporting to visualize tiny cracks or magnify fractures. Furthermore, both the thermosetting PHUs and recycled thermosetting PHUs presented excellent shape memory performance. This study provides certain inspiration for the design and development of highly rigid multifunctional polymers.
Tussilagone ameliorates high‐fat diet‐induced hepatic steatosis by enhancing energy metabolism and antioxidant activity
Authors: Sun Mingjie , Li Yu , Su Songtao , Gao Jiayi , Yu Lin , Qi Xinyi , Liang Huanjie , Li Xiangling , Qi Xinyu , Liang Yunxiao , Zhou Lei , Zhang Guo , Li Yixing 
Published: April 2023

AbstractNon‐alcoholic fatty liver disease (NAFLD) is a major health problem. However, no effective treatments are currently available. Thus, there is a critical need to develop novel drugs that can prevent and treat NAFLD with few side effects. In this study, Tussilagone (TUS), a natural sesquiterpene isolated from Tussilago farfara L, was explored in vitro and in vivo for its potential to treat NAFLD. Our results showed that in vitro TUS reduced oleic acid palmitate acid‐induced triglyceride and cholesterol synthesis in HepG2cells, reduced intracellular lipid droplet accumulation, improved glucose metabolism disorders and increased energy metabolism and reduced oxidative stress levels. In vivo, TUS significantly reduced fat accumulation and improved liver injury in high‐fat diet (HFD)‐induced mice. TUS treatment significantly increased liver mitochondrial counts and antioxidant levels compared to the HFD group of mice. In addition, TUS was found to reduce the expression of genes involved in lipid synthesis sterol regulatory element binding protein‐1 (SREBP1), fatty acid synthase (FASN), and stearoy‐CoA desaturase 1 (SCD1) in vitro and in vivo. Our results suggest that TUS may be helpful in the treatment of NAFLD, suggesting that TUS is a promising compound for the treatment of NAFLD. Our findings provided novel insights into the application of TUS in regulating lipid metabolism.
Severity of functional tricuspid regurgitation is associated with mortality in patients with pulmonary hypertension in long‐term follow‐up
Authors: Yang Yunjing , Chen Huaqiao , Dong Qian , Liao Kangla , Huang Wei 
Published: April 2023

AbstractPulmonary hypertension (PH) is a hemodynamic and pathophysiologic state present in many cardiovascular, respiratory, and systemic diseases. PH is considered to have a higher risk of cardiovascular events and mortality. The most common type of functional tricuspid regurgitation (FTR) is associated with PH. The aim of this study was to evaluate the association between FTR severity and mortality in PH in western China. This is a retrospective analysis in PH patients and all patients underwent right‐heart catheterization (RHC) for hemodynamic measurements. The FTR severity was determined according to the guidelines. Uni‐ and multivariate analyses were used to identify risk factors for mortality. From 2015 to 2021, 136 patients with PH with a median age of 50 years (interquartile range [IQR]: 35–64 years). During 26‐month median follow‐up (mean 27.7 ± 15.1 months), 40 (29.2%) patients died (mean after 21.7 ± 14.1 months). In the univariate Cox regression analysis, World Health Organization functional class (WHO FC) III/IV, elevated B‐type natriuretic peptide, pulmonary vascular resistance (≥16.2 Wood units), pulmonary artery oxygen saturation, severe FTR and right ventricular diameter/left ventricular diameter (≥0.62) were significantly associated with mortality. In the multivariate Cox regression analysis, severe FTR, WHO FC III/IV, and right ventricular end‐diastolic pressure (RVEDP) were risk factors for mortality. Severe FTR at baseline was strongly associated with mortality in both precapillary and postcapillary PH patients, independent of the other risk factors as RVEDP, HO FC III/IV, optimal pulmonary arterial hypertension targeted therapy.
Approaches for the Detection of Escherichia coli in Wastewater: A Short Review
Authors: Zulu Nokwanda , Idris Azeez O. , Orimolade Benjamin O. , Nkambule Thabo T. I. , Mamba Bhekie B. , Feleni Usisipho 
Published: April 2023

AbstractEscherichia coli is a harmful pathogenic bacterial species causing serious intestinal sickness in humans. This bacterium has been linked to contaminated epidemics that have led to significant mortality and morbidity across the world. E. coli, like most other waterborne infections, is tricky to discover effectively in the water supply. Therefore, there is a demand for advanced E. coli detection methods that can sensitively and rapidly detect these pathogens. This review reveals several approaches used for the detection of E. coli bacteria using conventional methods such as multiple tube fermentation and membrane filtration techniques. The emerging approaches give quite accurate and speedy identification despite the necessity for culturing; nevertheless, they lack precision and necessitate extra lab testing. Because analytical techniques such as GC‐DMS lack specificity, the invention of a sensing device that is simple to use, compact, extremely sensitive, and specific has proven essential in identifying incredibly low concentrations of harmful E. coli in drinking water.
Synthesis of Isotopic Labelled Paracetamol Benzoate‐d3 and Its Application in the Determination of Paracetamol
Authors: Demirel Rabia , Erarpat Sezin , Bodur Süleyman , Günkara Ömer Tahir , Bakırdere Sezgin , Turak Fatma 
Published: April 2023

AbstractThis study proposed a precise/accurate analytical method for the paracetamol (PCT) determination in human serum/urine matrices. PCT was simultaneously derivatized and preconcentrated by dispersive liquid‐liquid microextraction (DLLME). Benzoyl chloride dissolved in dichloromethane was used as derivatization agent in the extraction solvent. Quadruple isotope dilution (QID) method with three calibration mixtures (A*B‐x, x=1,2,3) and one sample mixture (AB) was performed to enhance the method accuracy and precision. In our research laboratory, paracetamol benzoate‐d3 (PCT benzoate‐d3) was synthesized and used as isotopically labelled substance (B) to conduct QID method. After the combination of QID and DLLME‐GC‐MS systems, percent recovery results for human serum/urine matrices were found to be 99.3–101.0 % and 98.8–99.9 %, respectively.
Preparation and Appraisal of High‐Modulus Resin‐Based Composites Reinforced by Silica‐Coated Multi‐Walled Carbon Nanotubes
Authors: Li Zhihua , Guo Ziteng , Yang Yu 
Published: April 2023

AbstractStructural materials for satellites call for reliant stiffness while meeting the requirements of strength. Cyanate resins with superior mechanical properties and reliable dimensional stability have come under the light in the aerospace field. Herein, TDE‐86 epoxy resin was adopted to modify bisphenol E cyanate resin to prepare a high‐performance composite matrix with superior mechanical properties, low molding temperature and adequate toughness. The silica‐coated carboxylated multi‐walled carbon nanotubes (SiO2@MWCNT) was designed and synthesized by sol‐gel method for the reinforced preparation of high‐modulus cyanate/epoxy composites. The experiment results demonstrated that the mechanical properties of the resin matrix could be effectively enhanced by the introduction of SiO2@MWCNT, and the optimal overall performance was achieved with 0.9 wt% SiO2@MWCNT. Compared with unmodified resin matrix, the incorporation of SiO2@MWCNT contributes a large increase in the storage modulus and glass transition temperature. Benefit from the addition of nanomaterials, the curing temperature and viscosity of cyanate resin modified by epoxy resin were further reduced to nearly 70 °C and 40 mPa ⋅ s, which makes the composite matrix retain excellent processing properties.
A Fluorescence Probe for “Turn‐Off” Heavy‐Metal‐Ion Sensing – Synthesis and Characterization of a Dipyrromethene p‐Phenylenevinylene Conjugated Copolymer and Its Electronic and Optical Properties
Authors: Joseph Alex , Mathai George , Schwandt Carsten , Ramamurthy Praveen C. , Subramanian Sankaran 
Published: April 2023

AbstractFluorescent electroactive polymers possess good transduction properties and are used as active materials for sensors. Here, a fluorescent conjugated copolymer has been synthesized from dipyrromethane and p‐phenylenevinylene as the monomers, and characterized for its optical and sensing properties. Absorption and emission analyses in various solvents have shown that the polymer exhibits excellent solvatochromism. A DFT method has been used to predict the bandgap as well as the electron distributions in HOMO and LUMO levels. The interaction of the polymer with selected metal ions has been studied in different solvents and the change in emission with concentration of the analyte has been determined. It has been observed that the polymer has a significant affinity towards Fe2+, Fe3+ and Co2+ ions with high Stern‐Volmer quenching constants. Overall, this work has demonstrated that the polymer synthesized has a potential application as a heavy metal ion turn‐off sensor.
Computer‐Aided and Experimental Studies of Conjugation Effect in Azobenzene‐Based Compounds towards Nonlinear Optic Application
Authors: Jillani Mamoona , Sapari Suhaila , Shazwan Shah Jamil Mohamad , Abdul Razak Fazira Ilyana 
Published: April 2023

AbstractDiphosphine ligands containing {(−HC=N) imine group} demonstrating aliphatic and aromatic framework such as ethane and azobenzene exhibit different nonlinear optical (NLO) properties. In this study, two different ligands N,N′‐Bis‐(2‐diphenylphosphinobenzyaldehyde)‐ethane‐1,2‐diamine (A) and N,N′‐Bis‐(2‐diphenylphosphinobenzyaldehyde)‐4,4 azodianiline (B) have been synthesized with a percentage yield of 60–70 % and further characterized by spectroscopic analysis. Comparative study of computational analysis using Gaussian software with DFT method and hybrid functional B3LYP together with basis set 6‐31G++(d,p) has shown good agreement of less than 5 % deviation errors. From previous study, derivatives of these compounds have shown good NLO properties contributing by many factors such as conjugation, electron withdrawing groups (EWG), electron donating groups (EDG), metal mass, highest occupied molecular orbital‐lowest unoccupied orbital (HOMO‐LUMO) and band gap. The evaluation shows that both ligands have high NLO properties established on the value of βtot at 1064 nm wavelength. Studies indicate that ligand B showed highest NLO property with the βtot value of 11.1534×10−30 esu followed by ligand A 10.3786×10−30 esu due to increased conjugation in the system. This is supported by the high dipole moment 5.501404 μ (D) of ligand B. These ligands can be further modified by the addition of the metals to form complexes in order to improve NLO properties with the βtot value of complex A 24.0638×10−30 esu followed by complex B with the βtot value 526.9826×10−30 esu.
Phthalimide‐Based Off‐On‐Off Fluorosensor for Cascade Detection of Cyanide Ions and Picric Acid
Authors: Sultana Tuhina , Mahato Manas , Tohora Najmin , Das Ankita , Datta Pallab , Das Sudhir Kumar 
Published: April 2023

AbstractNovel methods that can be utilized to identify and detect harmful environmental pollutants still need to be proposed. This article describes the effective design and development of a turn‐on photoluminescence probe, T1 [(E)‐5‐((2‐hydroxybenzylidene) amino) isoindoline‐1, 3‐dione], which is selective and sensitive towards CN− ions having detection limit nM to μM range. When exposed to CN− ions, Probe T1 displays a strong fluorescence response under a 365 nm UV light irradiation with a noticeable low to high intense cyan color photoluminescence visible to the naked eye. For the practical utility of the present probe T1, a paper strips‐based test kit experiment has been demonstrated as a portable and displayable photonic device for on‐site detection of CN− ions. Furthermore, the T1‐CN− adduct has been applied for detecting explosive nitroaromatic compounds, especially PA, based on the photoluminescence quenching mechanism. Using CN− ions, and PA as chemically encoded inputs and corresponding optical output, a molecular logic gate has been constructed. Further, probe T1 has been employed as a bio‐analytical tool to map intercellular CN− ions in live cells. This study invokes a novel approach for designing and developing efficient and selective sensors employing well‐known fluorescent probes as signaling units with prior photophysical knowledge.
Therapeutic Role of DGJ (1‐deoxygalactonojirimycin) in Fabry Disease: Theoretical Insights
Authors: Meshach Paul D. , Gopalakrishnan Chandrasekhar , Sekar Ponnusamy Chandra , Lavinya Udhaya , Ramalingam Rajasekaran 
Published: April 2023

AbstractFabry disease (FD) is a potentially fatal rare genetic disorder that is actuated due to the alpha‐galactosidase (α‐Gal) enzyme's ineptitude to break down a specific type of fat, globotriaosylceramide. At present, there is no effective therapeutics against FD. However, studies have shown 1‐deoxygalactonojirimycin (DGJ) to be a notable pharmacological chaperone against α‐Gal mutants. In this present analysis, theoretical details behind chaperoning ability of DGJ in ameliorating the functional activity of selected α‐Gal mutants were studied. From the literature, 40 missense mutants responsive to DGJ were analysed, T41I and Y216C mutants were screened and studied further. Through MD simulations, structural rigidity and fluctuations were found to be altered in mutants. Moreover, metastable states observed in mutants were concentrated towards stable conformations in the presence of DGJ. Also, simulated thermal unfolding analysis on mutants illustrated a pattern shift of hydrogen bond dilution and rigid cluster decomposition towards that of wild‐type, in the presence of DGJ. Hence, DGJ could alleviate mutant α‐Gal, thereby mitigating the effects of FD.
Designing Donor‐Acceptor‐Donor (D‐A‐D) Type Molecules for Efficient Hole‐Transporting in Perovskite Solar Cells – A DFT Study
Authors: Paramasivam Ganesan , Sambasivam Sangaraju , Kumar Ravva Mahesh 
Published: April 2023

AbstractWe designed eight hole‐transporting materials (HTMs) of D‐A‐D type comprising an acceptor (A) unit flanked between two triphenylamine (TPA) donor (D) units. The structural, electronic, and absorption properties of designed molecules are studied using density functional theory (DFT) and time‐dependent DFT (TD‐DFT) methods. The MPW1PW91 functional with a 6‐31g(d,p) basis set was chosen, followed by a careful benchmark of DFT functionals. We identified dibenzothiophene‐triphenylamine (DBT‐TPA) and dibenzo‐1,4‐dioxaspiro[4,4]nonane‐triphenylamine (DBDN‐TPA) as the most promising molecules due to their unique properties, such as finite π‐conjugation, suitable highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), deep blue absorption, and lower reorganization energy than the recently reported anthradithiophene–triphenylamine (ADT‐TPA) based HTMs. Furthermore, the newly proposed D‐(L‐A‐L)‐D type molecules with a linker (L) display the enhanced features required for improved hole mobility. Our work demonstrates the fine‐tuning of electronic interactions between the donor and acceptor units, with a linker (L), in achieving the planarity, absorption, and hole mobility essential for efficient HTMs in perovskite solar cells.
LaMnxCo1‐xO3 (x=0, 0.25) Perovskites: Novel Nano Catalysts for Removal of Thiophene compounds in Fuels by Catalytic and Ultrasound‐assisted Oxidative Desulfurization
Authors: Esmaili Habib , Ali Hosseini Seyed 
Published: April 2023

AbstractLaMnxCo1‐xO3 (x=0, 0.25) perovskites were developed as novel nanocatalysts for the desulfurization of thiophenes compounds by catalytic oxidative desulfurization (CODS) and ultrasound‐assisted oxidative desulfurization (UAOD). The perovskites were synthesized by the sol‐gel auto‐combustion method and characterized by X‐ray diffraction (XRD), temperature programmed reduction (TPR), Scanning electron microscopy (SEM) and BET surface area. The experiments were designed by the Box‐Behnken method of response surface methodology. The catalytic experiments were designed by response surface methodology (RSM). LaMn0.25Co0.75O3 despite having a lower surface area rather than LaCoO3 exhibited superior activity due to easy reducibility and high surface electron density approved by TPR. Pareto analysis indicated that the DBT concentration had the most effect on the CODS process. Ultrasound waves enhanced the activity of the catalysts via the formation of hot spots as an accelerating and de‐agglomerating agent in the UAOD process, leading the LaMn0.25Co0.75O3 to be reusable at least for 5 cycles. A mechanism for DBT oxidation was proposed by the formation of DBT sulfone. Due to steric hindrance and the electron density of the sulfur atoms in thiophene derivatives, the following order resulted in their desulfurization rate: DBT>4‐MDBT>BT. The study indicated that perovskites could be novel and promising nanocatalysts for the desulfurization of fuels.
Application of Perovskite Strontium Doped Neodymium Manganite (Nd0.6Sr0.4MnO3) for Effective Removal of Fast Green Dye, A Toxic Wastewater Contaminant“
Authors: Bhoriya Ankit , Sachin  , Bura Neha , Yadav Deepa , Singh Jasveer , Singh Nahar , Singh H. K. , Dilawar Sharma Nita 
Published: April 2023

AbstractWater is a natural and universal solvent that sustains life on earth. Due to industrialisation, pure water resources are exposed to contamination at an alarming rate due to various organic and inorganic substances. Dyes, with organic contaminants in particular, are very harmful to human and aquatic life due to their carcinogenic nature. The primary consumers of dyes are the textiles and printing industries which release wastewater with high concentrations of these dyes. Therefore, severe measures are needed to remove dye from wastewater. Herein, authors report a study, the first of its kind, to remove the organic contaminants, especially Fast Green dye, from wastewater using Strontium doped neodymium manganite, Nd0.6Sr0.4MnO3 (NSMO) as an adsorbent. The adsorbent NSMO was synthesized via a solid‐state reaction route. The structural and microstructural characterizations reveal that the samples are orthorhombic polycrystalline and have a dense growth of particles. To assess the efficacy of dye removal of NSMO, preliminary studies were carried out on the effects of pH variation, initial dye concentration, and contact time, followed by adsorption kinetic studies using dye in water as a contaminant. The isotherm and kinetic studies suggest that dye removal from wastewater follows the second‐order kinetics and Langmuir isotherm model. It was found that the maximum percentage removal for 100 mg/L of dye solution is close to 99 % using 0.05 g of adsorbent for 60 min. The novelty of the approach is brought out by the fact that, to date, only photocatalytic studies have been carried out on this material.
A Magnetic Fe3O4/Modified Bentonite Composite as Recyclable Heterogeneous Catalyst for Synthesizing 2‐Substituted Benzimidazoles
Authors: Wang Shuang , Chen Xiaodong , Bao Lijian , Liu Kejun , Bi Yongchang , Xue Yafei , Liu Xiaowen , Gu Qiang , Zhang Yumin 
Published: April 2023

AbstractAn efficient and convenient synthesis of 2‐substituted benzimidazoles catalyzed by magnetic Fe3O4 supported by modified bentonite (MB) was developed. Herein, a separable, magnetic catalyst Fe3O4/MB was successfully prepared on the basis of exploring Fe3O4 synthesis by co‐precipitation method. Fe3O4 was obtained in 96.09 % yield using sweet orange oil as a reducing and protecting agent. The result showed that the sweet orange oil played a crucial role in the preparation of Fe3O4. Fe3O4 and Fe3O4/MB were characterized by powder XRD, SEM, EDX, XPS and BET, and were further applied to catalyze the synthesis of 2‐substituted benzimidazoles. The applicability of the substrate was investigated on the basis of optimizing the reaction conditions. As a consequence, 2‐substituted benzimidazoles were obtained in 37.01–91.68 % yield. It suggested that Fe3O4/MB was an environmentally friendly and low‐cost catalyst possessing good catalytic activity, broader substrate adaptability and excellent recyclability. It is a promising catalyst in industrial production.