bluuebunny/crossref_metadata_2025_split huggingface dataset:
Morphological, Mechanical and Thermal Properties of Polybutylene Tetrephthalate‐Polyester Based Thermoplastic Polyurethane Blends
Authors: Rawat Rajkumar Singh , Tyagi Mukti , Talwar Meenu , Tyagi Vinay Kumar , Kumar Manmohan , Das Mukul , Roy Parsun 
Published: December 2022

AbstractPolybutylene tetrephthalate (PBT)‐polyester based thermoplastic polyurethane (TPU) blends with varying percentages of TPU (10 %, 20 %, 30 %, 40 %) were prepared in order to improve impact strength of PBT to enhance its applications. The blends were prepared by melt mixing using a twin screw extruder. Based on morphological images, impact strength analysis and dynamical mechanical analysis, TPU was well dispersed in PBT polymer matrix. Studies using Differential Scanning Calorimetry indicate a decrease in crsytallinity on addition of 30 % TPU in PBT. Thermogravimetric analysis demonstrates that addition of TPU in PBT matrix increases the char content. PBT and TPU have a good interfacial adhesion, according to SEM investigations. Mechanical characteristics demonstrate that the inclusion of TPU in PBT matrix resulted in a significant increase in impact strength of about 208 %, with minor changes in tensile strength and tensile modulus. Change in glass transition temperature of the optimised blend was measured using DMA.
Copper‐Decorated Magnetite Polydopamine Composite (Fe3O4@PDA): An Effective and Durable Heterogeneous Catalyst for Pyranopyrazole Synthesis
Authors: Badbedast Mehran , Abdolmaleki Amir , Khalili Dariush 
Published: December 2022

AbstractSynthesis of pyranopyrazoles using heterogeneous catalysts is among the most executed synthetic approaches in organic chemistry and has attracted much attention because of the atom economy and environmentally benign issues. Magnetite dopamine‐supported copper nanoparticles were created using a simple co‐precipitation technique and characterized by Fourier‐transform infrared spectroscopy (FTIR), x‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), and vibrating sample magnetometry (VSM). The catalytic activity of the Fe3O4@PDA/CuCl2 system was probed in the synthesis of structurally diverse pyranopyrazoles. It′s worth mentioning that the catalyst could be used at low loadings to produce pyranopyrazoles with high to acceptable in the absence of an external reducing agent. Additionally, the produced heterogeneous catalyst can be reused (by extracting with an external magnet) in six subsequent cycles without suffering a significant loss in catalytic activity. The high efficiency of the derivatives from about 70 % to 98 %, as well as the fact that the TON)1000–2500( and TOF)1000–5000 h−1) have attained the optimal amount, indicate the catalyst‘s high efficiency.
Spectral, Thermal Behavior, Molecular Modeling, and Antimicrobial Studies of Fuchsin Basic Hydrochloride
Authors: Masoud Mamdouh S. , Ramadan Ahmed M. , Ahmed Mahmoud M. 
Published: December 2022

AbstractThe current study reported important characteristic features of the 4‐[(4‐aminophenyl)‐(4‐imino‐3‐methylcyclohexa‐2,5‐dien‐1‐ylidene)methyl]aniline hydrochloride known as fuchsin basic dye (FB). The thermal decomposition behavior of the dye was scrutinized through thermogravimetric analysis (TG), differential thermal analysis (DTA), and differential scanning calorimetry (DSC). Besides, the acid dissociation constants of FB were evaluated by analyzing its electronic spectra at different pH values. In addition, a docking study was also carried out to investigate the binding affinity between the FB dye and two selected proteins (3t88 and 1bqb) of Escherichia coli and Staphylococcus aureus, respectively. The docked complex of the dye with the target proteins exhibits moderate scoring energy values (−5.2025 and −5.5762 kcal/mol where the receptors are bonded to the dye through H‐bonds of lengths that are less than 3.5 Å. The dye was also tested for its antimicrobial activity against two Gram‐positive and two Gram‐negative bacterial species. The results revealed moderate to good activity against Klebsiella pneumonia, Escherichia coli, and Streptococcus pyogenes species compared to amoxicillin 0.1 % as a reference control.
Quinoline N‐Oxide: A Versatile Precursor in Organic Transformations
Authors: Singha Koustav , Habib Imran , Hossain Mossaraf 
Published: December 2022

AbstractQuinoline derivatives are very widely known biologically active heterocyclic compounds, as for example quinine, mefloquine, etc. In recent years, the interests of researchers are growing to look for a methodology using quinoline N‐oxides as a precursor to make several bio‐active quinoline compounds as quinoline N‐oxides are more reactive with good regioselectivity than unoxidized quinolines. In this review, numerous procedures are discussed using quinoline N‐oxides as a versatile precursor in organic transformations, such as alkenylation, alkylation, arylation, amination, amidation, halogenation and so on under metal or metal‐free conditions at C‐2, C‐3 or C‐8 positions. The main focus of this context is to explore various procedures of synthesis of quinoline derivatives with good regioselectivity, to understand the extent of usefulness of those procedures through the study of scope of substrates and the reaction mechanisms of the processes.
Synthesis of 1,2,3‐Triazole‐Containing 2,3‐Dihydrofuran Derivatives, Evaluation of Anticancer Activity and Molecular Docking Studies
Authors: Sabhavath Anil Kumar , Madderla Sarasija , Dharavath Ravinder , Thumma Vishnu , Thara Gugulothu , Gundu Srinivas , Dongamanti Ashok 
Published: December 2022

AbstractA simple and convenient one‐pot three‐component method to synthesize 1,2,3‐triazole‐based 2,3‐dihydrofuran derivatives from the condensation of 5,5‐dimethylcyclohexane‐1,3‐dione, substituted phenacyl bromide, triethylamine and 1,2,3‐triazole based benzaldehyde using a mixture of CH3CN/water as a reaction medium is described. The current protocol delivers numerous advantages such as good yield, short reaction time, easy work‐up and simplicity in the procedure as it uses a green method and an eco‐friendly catalyst. The target compounds are screened for their in‐vitro anticancer activity and most of the compounds are found to exhibit promising activity compared to standard drug Doxorubicin. Molecular docking studies performed on caspase‐3 and COVID‐19 main protease revealed well defined binding interactions and docking scores.
Synthesis and Biological Evaluation of Azacrownophanes Containing Tetrahydropyridine or Piperidone Subunits
Authors: Dao Nhung T. , Khrustalev Victor N. , Polyakova Elena I. , Le Anh T. 
Published: December 2022

AbstractHerein we presented the synthesis of azacrownophanes containing tetrahydropyridine or piperidone rings. The multicomponent reactions were performed and afforded tetrahydropyridine or piperidone derivatives which strongly depended on used substrates. Structure of tetrahydropyridine and piperidone derivatives was differentiated by spectrometry methods such as IR, HRMS, NMR and single‐crystal Xray diffraction. Eight synthesized compounds were evaluated for their cytotoxicity through Sulforhodamine B (SRB) assay. Three tetrahydropyridine derivatives displayed the most potent cytotoxic activity against Hep‐G2 and Lu‐1 cell lines with the IC50 values around 8 μM and 31.62 μM, respectively. The screening result of antimicrobial activities of all compounds showed negative values at a tested concentration of 50 μg/ml. The ADME study was calculated to provide some useful information about the structure and bioactivity relationship.
Hopping Light Vat Photopolymerization for Multiscale Fabrication
Authors: Xu Yang , Mao Huachao , Liu Cenyi , Du Zhengyu , Yan Weijia , Yang Zhuoyuan , Partanen Jouni , Chen Yong 
Published: December 2022

Abstract3D objects with features spanning from microscale to macroscale have various applications. However, the fabrication of such objects presents challenges to additive manufacturing (AM) due to the tradeoffs among manufacturable feature resolution, maximum build area, and printing speed. This paper presents a projection‐based AM process called hopping light vat photopolymerization (HL‐VPP) to address this critical barrier. The key idea of HL‐VPP is to synchronize linear scanning projection with a galvo mirror's rotation. The projector moves continuously at a constant speed while periodically rotating a one‐axis galvo mirror to compensate for the projector's linear movement so synchronized hopping motion can be achieved. By this means, HL‐VPP can simultaneously achieve large‐area (over 200 mm), fast‐speed (scanning speed of 13.5 mm s‐1), and high‐resolution (10 µm pixel size) fabrication. The distinguishing characteristic of HL‐VPP is that it allows for hundreds of times lower refresh rates without motion blur. Thus, HL‐VPP decouples the fabrication efficiency limit imposed by the refresh rate and will enable super‐fast curing in the future. This work will significantly advance VPP's use in applications that require macroscale part size with microscale features. The process has been verified by fabricating multiple multiscale objects, including microgrids and biomimetic structures.
Constructing Carbon Nanotube Hybrid Fiber Electrodes with Unique Hierarchical Microcrack Structure for High‐Voltage, Ultrahigh‐Rate, and Ultralong‐Life Flexible Aqueous Zinc Batteries
Authors: Wang Hui , Lu Yufei , Nie Zhentao , Liu Haodong , Dai Bingfei , Shi Xiaofan , Yan Bing , Zhao Tiancheng , Zhang Zhitao , Zhu Jixin , Zhao Yang 
Published: December 2022

AbstractFlexible aqueous zinc batteries are promising candidates as safe power sources for fast‐growing portable and wearable electronics. However, the low working voltage, poor rate capability, and cycling stability have greatly restricted their development and applications. Here, a new family of flexible bimetallic phosphide/carbon nanotube hybrid fiber electrodes with unique macroscopic microcrack structure and microscopic porous nanoflower structure is reported. The hierarchical microcrack structure not only facilitates the penetration of electrolyte for effective exposure of active sites, but also can serve as buffers to relieve the stress concentrations of the fiber electrode under deformations, enabling impressive electrochemical performance and mechanical flexibility. Particularly, the fabricated flexible aqueous zinc batteries demonstrate high working voltage plateau and specific capacity (≈1.7 V, 258.9 mAh g−1 at 2 A g−1), ultrahigh rate capability (135.8 mAh g−1 at 50 A g−1, fully charged in only 9.8 s) and impressive power density of 79 000 W kg−1. Moreover, the flexible batteries show ultralong cycling life with 74.6% capacity retention after 20 000 cycles. The fiber batteries are also highly flexible and can be easily knitted into soft electronic textiles to power a smartphone, which are particularly promising for the next‐generation of flexible and wearable electronics.
Integrating Incompatible Nanozyme‐Catalyzed Reactions for Diabetic Wound Healing
Authors: Li Guangming , Liu Hao , Yi Jiadai , Pu Fang , Ren Jinsong , Qu Xiaogang 
Published: December 2022

AbstractMulti‐nanozymes are widely applied in disease treatment, biosensing, and other fields. However, most current multi‐nanozyme systems exhibit only moderate activity since reaction microenvironments of different nanozyme are often distinct or even incompatible. Conventional assemble strategies are inapplicable for designing multi‐nanozymes consisting of incompatible nanozymes. Herein, a versatile fiber‐based compartmentalization strategy is developed to construct multi‐nanozyme system capable of simultaneously performing incompatible reactions. In this system, the incompatible nanozymes are spatially distributed in distinct compartmentalized fibers, where different microenvironments can be tailored by controlling the doping reagent, endowing each nanozymes with the preferential microenvironments to exhibit their highest activity. As a proof of concept, pH‐incompatible peroxidase‐like and catalase‐like catalytic reactions are tested to verify the feasibility of this strategy. By doping with benzoic acid in the desired location, the two pH‐incompatible nanozymes can work simultaneously without interference. Further, it is demonstrated that the oxygen supply and antimicrobial power of the integrated platform can be applied for accelerating diabetic wound healing. It is hoped that this work provides a way to integrate incompatible nanozyme and broadens the application potential of multi‐nanozymes.
Molybdenum Oxycarbide Supported Rh‐Clusters with Modulated Interstitial C–O Microenvironments for Promoting Hydrogen Evolution
Authors: Wang Weiwen , Geng Wei , Zhang Lu , Zhao Zhenyang , Zhang Zhen , Ma Tian , Cheng Chong , Liu Xikui , Zhang Yanning , Li Shuang 
Published: December 2022

AbstractTuning the microenvironment and electronic structure of support materials is essential strategy to induce electron transfer between supports and active centers, which is of great importance in optimizing catalytic kinetics. In this study, the molybdenum oxycarbide supported Rh‐clusters are synthesized with modulated interstitial C–O microenvironments (Rh/MoOC) for promoting efficient hydrogen evolution in water splitting. Both electronic structure characterizations and theoretical calculations uncover the apparent charge transfer from Rh to MoOC, which optimizes the d‐band center, H2O adsorption energy, and hydrogen binding energy, thus enhancing its intrinsic hydrogen‐evolving activities. In addition, the co‐occurrence of interstitial C and O atoms in MoOC supports plays a vital role in the dissociation reaction of water during the hydrogen‐evolving process. Impressively, the Rh/MoOC exhibits excellent hydrogen‐evolving activities in terms of exceptional turnover frequency values (11.4 and 39.41 H2 s−1 in alkaline and acidic media) and mass activities (21.3 and 73.87 A mg−1 in alkaline and acidic media) at an overpotential of 100 mV, which is more than 40 times higher than that of the benchmark commercial Rh/C catalysts. This work sheds new light on designing water dissociation materials that surpasses most of the reported catalysts.
Dopant‐Free Polymer Hole Transport Materials for Highly Stable and Efficient CsPbI3 Perovskite Solar Cells
Authors: Zhang Zelong , Fu Jianfei , Chen Qiaoyun , Zhang Jiajia , Huang Zhezhi , Cao Ji , Ji Wenxi , Zhang Longgui , Wang Ailian , Zhou Yi , Dong Bin , Song Bo 
Published: December 2022

AbstractAll‐inorganic perovskite CsPbI3 contains no volatile organic components and is a thermally stable photoactive material for wide‐bandgap perovskite solar cells (PSCs); however, CsPbI3 readily undergoes undesirable phase transitions due to the hygroscopic nature of the ionic dopants used in commonly used hole transport materials. In the current study, the popular donor material PM6 in organic solar cells is used as a hole transport layer (HTL). The benzodithiophene‐based backbone‐conjugated polymer requires no dopant and leads to a higher power conversion efficiency (PCE) than 2,2′,7,7′‐tetrakis[N,N‐di(4‐methoxyphenyl)amino]‐9,9′‐spirobifluorene (Spiro‐OMeTAD). Moreover, PM6 also shows priorities in hole mobility, hydrophobicity, cascade energy level alignment, and even defect passivation of perovskite films. With PM6 as the dopant‐free HTL, the PSCs achieve a champion PCE of 18.27% with a competitive fill factor of 82.8%. Notably, the present PCE is based on the dopant‐free HTL in CsPbI3 PSCs reported thus far. The PSCs with PM6 as the HTL retain over 90% of the initial PCE stored in a glovebox filled with N2 for 3000 h. In contrast, the PSCs with Spiro‐OMeTAD as the HTL maintain ≈80% of the initial PCE under the same conditions.
Urethral obstruction due to an inflammation and necrosis in the os penis of a dog
Authors: Brückner Michael 
Published: December 2022

AbstractA 2‐year‐old, 24.8 kg, entire, male, mixed breed dog was evaluated because of acute onset of pollakiuria and stranguria. Abdominal radiographs identified no obvious underlying cause for the stranguria. Abdominal ultrasound revealed prostatic cysts with a periprostatic inflammation. Retrograde contrast urethrography and urethrocystoscopy demonstrated a compressive lesion of the urethra at the caudal end of os penis. Initially, a balloon‐expandable metallic stent was placed in the area of the urethral obstruction. Haematuria and compression of the stent were observed 2 weeks after stent placement. Penile amputation in combination with cryptorchidectomy and neutering as well as scrotal urethrostomy were performed. Recovery was uneventful and the dog was doing well at the 2‐week follow‐up recheck. Histopathology diagnosed a well‐circumscribed necrotic area with haemorrhage within the os penis. The patient was clinically doing well over the next 13 months, but then humanely euthanased due to unrelated reasons.
Impact of Cultivation and Origin on the Fruit Microbiome of Apples and Blueberries and Implications for the Exposome
Authors: Wicaksono Wisnu Adi , Buko Aisa , Kusstatscher Peter , Cernava Tomislav , Sinkkonen Aki , Laitinen Olli H. , Virtanen Suvi M. , Hyöty Heikki , Berg Gabriele 
Published: December 2022

Abstract
Vegetables and fruits are a crucial part of the planetary health diet, directly affecting human health and the gut microbiome. The objective of our study was to understand the variability of the fruit (apple and blueberry) microbiome in the frame of the exposome concept. The study covered two fruit-bearing woody species, apple and blueberry, two countries of origin (Austria and Finland), and two fruit production methods (naturally grown and horticultural). Microbial abundance, diversity, and community structures were significantly different for apples and blueberries and strongly influenced by the growing system (naturally grown or horticultural) and country of origin (Austria or Finland). Our results indicated that bacterial communities are more responsive towards these factors than fungal communities. We found that fruits grown in the wild and within home gardens generally carry a higher microbial diversity, while commercial horticulture homogenized the microbiome independent of the country of origin. This can be explained by horticultural management, including pesticide use and post-harvest treatments. Specific taxonomic indicators were identified for each group, i.e., for horticultural apples: Pseudomonas, Ralstonia, and Stenotrophomonas. Interestingly, Ralstonia was also found to be enriched in horticultural blueberries in comparison to such that were home and wildly grown. Our study showed that the origin of fruits can strongly influence the diversity and composition of their microbiome, which means that we are exposed to different microorganisms by eating fruits from different origins. Thus, the fruit microbiome needs to be considered an important but relatively unexplored external exposomic factor.
Psychopathology and mental health service use among youth in foster care admitted to a psychiatric inpatient unit: a 4-year retrospective controlled study
Authors: Solerdelcoll Mireia , Ilzarbe Daniel , Fortea Adriana , Morer Astrid , Lazaro Luisa , Sugranyes Gisela , Baeza Inmaculada 
Published: December 2022

AbstractYouth in foster care (FC) are at increased risk of poor psychosocial outcomes. The aim of this study was to assess psychopathology and mental health service use among youth living in FC who require psychiatric hospitalisation. All individuals admitted to our Children and Adolescent Inpatient Psychiatry Unit between 2014 and 2017 who were in FC were systematically reviewed. The control group was defined as all youth living with their immediate family and hospitalised in our unit throughout 2016. We identified 89 patients placed in FC and 247 controls. Socio-demographic and clinical data were retrospectively collected from computerised charts. A survival analysis of emergency department visits and readmission to the hospital was conducted. Compared to controls, the FC group presented significantly higher rates of conduct disorder (78.7% vs 14.6%; p < 0.001) and substance use disorder (49.4% vs 27.5%; p < 0.001), mainly cannabis use (34.8% vs 16.6%; p < 0.001); higher rates of comorbidity (96.6% vs 55.9%; p < 0.001) and mean number of comorbid diagnoses (3.3 ± 1.1 vs 2.3 ± 0.5; p < 0.001). The FC group had a higher number of emergency room visits before and after admission than controls. FC youth were also 2.77 times more likely to visit the emergency department after discharge, and in a shorter time period, than controls (p = 0.004). Disruptive behaviours, substance use disorder, and comorbid psychopathology were all more prevalent among FC youth than controls. Specific strategies are needed to optimize community mental health resources and address the increased use of emergency services by these youth before and after hospitalisation.
Regional groundwater flow and the future of hydrogeology: evolving concepts and communication
Authors: Mádl-Szőnyi Judit , Batelaan Okke , Molson John , Verweij Hanneke , Jiang Xiao-Wei , Carrillo-Rivera José Joel , Tóth Ádám 
Published: December 2022

AbstractConsideration of regional groundwater flow in aquifer systems allows for solving groundwater issues on a larger scale than single aquifers and contributes to all practical aspects of the UN’s Sustainable Development Goals for water. The approach has been extended to a wide range of hydrogeological environments. However, it suffers from poorly constrained terminology and conceptualisation, compounded by the difficulties of interpreting complex groundwater flow systems. This essay aims to initiate a discussion on improving the application of regional groundwater flow approaches.
Catalytic pyrolysis of recycled polypropylene using a regenerated FCC catalyst
Authors: Palmay Paul , Medina Carlos , Donoso Caterine , Barzallo Diego , Bruno Joan Carles 
Published: December 2022

Abstract
The increasing generation of plastic wastes forces us to search for final disposal technologies environmentally friendly such as pyrolysis, which becomes an interesting technique because it takes advantage of the wastes obtaining important products. In addition, catalytic pyrolysis by using commercial catalysts, e.g. such zeolites, alumina or recovered from other industrial processes, it allows decreases the activation energy and selectivity in the obtained products. In this study, we report the evaluation of the catalytic pyrolysis with a regenerated fluid catalytic cracking catalyst using thermogravimetry with polypropylene and a pyrolytic process carried out in a batch reactor with polypropylene in a 1:10 ratio (catalyst-plastic). The regeneration studies were carried using two solvents (ethanol and toluene) at different contact times, then a thermal regeneration at two heating ramps was performed and the best treatment was evaluated by scanning electron microscopy energy-dispersive X-ray spectroscopy and surface area analysis. The results showed a better action of the ethanol in the chemical treatment at 14 h of contact in the heat treatment due to longer gasification of the coke. The degradation process using recovered catalyst decreases the degradation temperature compared to the no-catalyst process. As a consequence, the yield of the liquid fraction decreases by 10% with greater orientation to aliphatic components.

Graphical abstract