bluuebunny/crossref_metadata_2025_split huggingface dataset:
The sustainable development of mobility in the green transition: Renewable energy, local industrial chain, and battery recycling
Authors: D'Adamo Idiano , Gastaldi Massimo , Ozturk Ilhan 
Published: October 2022

AbstractThe transportation sector has a strong negative impact on the environment and therefore requires new sustainable development measures. This paper proposes a new indicator of sustainability in transport obtained through a multi‐criteria analysis based on Eurostat data and a panel of 10 academics. The results show a positive performance of Sweden in the period 2015–2019 and a small number of countries above the European average. Furthermore, a quantitative analysis based on these experts identifies the critical success factors associated with purchasing electric vehicles. The greatest importance is assigned to purchase cost, followed by battery autonomy. Our analysis proposes that electric vehicles are unable to achieve a sustainable transition unless three conditions are met: (i) use of renewable sources, (ii) local industrial development of the sector, and (iii) battery recycling. Therefore, Europe urgently needs to realize new industrial activities and avoid social unsustainability. The long‐term objective of a policy plan is to promote independence from external sources of energy, materials, and other resources.
Imidazoquinoxaline as a Privileged Fused Pharmacophore in Anticancer Drug Development: A Review of Synthetic Strategies and Medicinal Aspects
Authors: Goel Kapil Kumar , Rajput Satyendra Kumar , Kumar Ashwani , Nandi Nilay Kumar , Joshi Gaurav , Kharb Rajeev 
Published: October 2022

AbstractCancer, the uncontrolled growth of cells, is not a single but a multifaceted disorder with malignant behavior, metastasis, and invasion, medically known as malignant neoplasm. The number of cases and morbidity due to cancer is rising alarmingly worldwide, causing around 21 % annually. Imidazoquinoxaline is a privileged scaffold with a wide range of pharmacological activities that is well explored for its anticancer potential. As a synthon, imidazoquinoxaline presents a large number of possibilities for structural modifications, which have attained the attention of many researchers for the development of new anticancer molecules with diverse improved target specificity and efficiency. Development of imiquimod followed by EAPB203 and EAPB503 derivatives further enhanced the popularity of this structural pharmacophore. In this report, we have focused on the anticancer potential of newly reported imidazoquinoxaline derivatives, along with their SAR studies and therapeutic potential. We have also enlisted the synthetic schemes reported for the synthesis of imidazoquinoxaline derivatives. The lead structural features described in this review will assist the researchers in designing and developing the novel imidazoquinoxaline pharmacophore containing anticancer compounds possessing the potential to interfere with various factors or mediators which are responsible for the progression of cancer. This report will also help in identifying the potent compounds which can be further evaluated in clinical trials for the development of new anticancer drugs with minimal to no side effects.
The Rise of Carbon‐based Leaving Groups
Authors: Paul Dipankar , Chatterjee Paresh Nath 
Published: October 2022

AbstractInconspicuous yet carbon‐based leaving groups has presented us with novel C−C bond cleaving avenues for organic transformations over the past few years. This initial review of the emerging field aims to highlight the chemistry that allows C−C bond cleavage in unstrained molecules in mild and sometimes metal‐free reaction conditions. A wide variety of carbon‐based leaving groups has been reported that demonstrate its vast utility for the formation of new C−H, C−N, C−C, C−O, and C−S bonds. The review has been divided in three main sections discussing the leaving group aptitude of active methylene compounds, active methyl compounds and electron‐rich arenes. With uncomplicated pre‐requisites for a carbon‐based fragment to act as leaving groups, we expect more such efficient leaving groups will be identified in the near future.
Natural Biomass Derived Microporous Activated Carbon Electrodes for Highly Efficient Supercapacitor Applications
Authors: Shetty Ajay Kalale Mahadeva , Dinesh Muniyappa Nanjundaiah , Yashaswini Manjappa , Gopalakrishna Byatarayappa , Kathyayini Nagaraju , Sundarayya Yanamandra , Vijeth Hebri 
Published: October 2022

AbstractThe present work aims to synthesize microporous activated carbon nanostructure using natural biomass materials such as Bamboo, Sugarcane bagasse, and Orange peel precursors and to study its structural and morphological properties for energy storage applications. The carbonization temperature is maintained at 400 °C for all the precursors under a nitrogen atmosphere, and potassium hydroxide was used as the activating agent in the synthesis of activated carbon. These prepared samples were analysed by X‐ray Diffraction (XRD), Scanning Electron Microscopy‐Elemental Dispersive Spectrum (SEM‐EDS), and Brunner Emmett Teller (BET) surface area analysis. The KOH activated carbon was found to possess micropores with a high surface area of 1273 m2 g−1 for the Bamboo derived Activated Carbon (BAC), which is much higher than that of Sugarcane Bagasse derived Activated Carbon (SBAC‐ 1069 m2 g−1) and Orange Peel derived Activated Carbon (OPAC‐ 915 m2 g−1). The porous structure of the activated carbon material when used as electrodes in a supercapacitor led to a highest specific capacitance of 492 Fg−1 at 2 mVs−1 for BAC whereas the SBAC (486 Fg−1) and OPAC (145 Fg−1) composites.
Synthesis and Characterization of Water Soluble Diethylenetriamine‐β‐Cyclodextrin/Ethinylestradiol Inclusion Complex
Authors: Gong Fengrong , Lv Rongyao , Ma Jiayue , Wang Xuehan , Qu Yanmei , Zhang Cong , Xu Juan , Wang Ting 
Published: October 2022

AbstractEthinylestradiol (EE), is widely used to treat conditions such as breast cancer, prostate cancer and climacteric syndrome. However, due to the low water solubility of EE, the bioavailability of EE is low. Herein, to improve the bioavailability of EE, a hydrosoluble cyclodextrin drug carrier system, diethylenetriamine‐β‐cyclodextrin/ethinylestradiol (DETA‐β‐CD/EE) was prepared. High performance liquid chromatography (HPLC), fourier transform infrared (FTIR), 2D rotating frame overhauser effect spectroscopy (ROESY) spectrum and scanning electron microscope (SEM) were used to characterize the DETA‐β‐CD/EE. HPLC test showed that DETA‐β‐CD was the optimal host molecule, which can improve the solubility of EE to 496 mg L−1. Phase solubility indicated the formation of a soluble inclusion complex with 1 : 1 stoichiometry. In terms of practical application, the solubility and stability of DETA‐β‐CD/EE in blood was proved by dissolution rate studies. Overall, by the encapsulation in polysaccharide DETA‐β‐CD, the water solubility of EE is increased by 100 times. The establishment of hydrosoluble cyclodextrin drug carrier system provides support for the sustained release system or large dose drug delivery.
Synthesis ofC2‐Formamide(thiophene)pyrazolyl‐C4’‐carbaldehyde and their Transformation to Schiff's Bases and Stereoselectivetrans‐β‐Lactams: Mechanistic and Theoretical Insights
Authors: Saini Preety , Bari Shamsher S. , Yadav Pooja , Khullar Sadhika , Mandal Sanjay K. , Bhalla Aman 
Published: October 2022

AbstractHerein, we describe synthesis of functionalized thiophenyl acetyl‐hydrazones using acetyl‐thiophene derivative as precursor which further underwent Vilsmeier‐Haack reaction in an unexpected manner, providing three‐carbon atoms to the molecular framework. The mechanistic view explained formation ofC2‐formamide(thiophene)pyrazolyl‐C4’‐carbaldehyde by three consecutive actions in single‐pot: 1) nucleophilic amino toC2‐iminium ion generation, 2) cyclization to pyrazole ring and 3) nucleophilic attack by pyrazole toC4’‐iminium ion which finally leads to dual formylation in the system. This product burst to primary amines to synthesize highly substitutedC2‐formamide(thiophene)pyrazolyl‐C4’‐Schiff's bases. Further, the reactivity of synthesized Schiff's bases underwent metal‐free ring closure with diverse heteroatomic ketene sources which exposed the emergence of stereoselectivetrans‐β‐lactams. The broad functional groups encircled monocyclic β‐lactams were achieved in moderate to excellent yields under gentle conditions. Additionally, theoretical calculations on B3LYP/6‐31G(d,p) level of some representative compounds are also investigated to support mechanistic explanation with their stabilized structures and physical properties.
Effect of Morphology on the Drug Sustained‐Release Performance of HA/β‐TCP Composite
Authors: Wang Li‐li , Tian Cheng‐yuan , Feng Li‐na , Wang Xiu‐feng , Hou Xu‐ri 
Published: October 2022

AbstractHydroxyapatite/tricalcium phosphate (HA/β‐TCP) has been widely studied as a drug carrier, but the drug loading and release rate of the composites with different morphology significantly vary. In this paper, needle‐shaped, rod‐shaped, and ordered porous HA/β‐TCP composite was prepared by chemical co‐precipitation method, and ibuprofen (IBU) was used as a drug model to study the sustained‐release properties of IBU in vitro. The results showed that morphology of the HA/β‐TCP composite had a significant effect on the drug loading of IBU. The IBU loading of the ordered porous composite was as high as 101.3 mg/g, which was 2.2 times and 3.46 times higher than that of the rod‐shaped and needle‐shaped composite to IBU, respectively. The drug release test of IBU showed that the release rate of the ordered porous HA/β‐TCP to IBU was slower than that of the rod‐shaped and needle‐shaped composite in the initial 10 h, and reached the drug release equilibrium after the subsequent 30 h. The cumulative release of the ordered porous HA/β‐TCP composite to IBU reached 83.79 %, which was significantly smaller than that of the needle‐shaped and the rod‐shaped, showing better slow‐release performance for IBU. The ordered porous HA/β‐TCP composite have great application potential in quantitative drug delivery systems.
Facile Fabrication of Fluorine‐free Silica‐based Superhydrophobic Coating Using Acid‐catalyzed Silica Adhesive
Authors: Ren Tingting , Yuan Biao , Tang Gongwen , Zhao Man , Yang Yang , Yan Zhishan , Ma Linrong , Huang Xin 
Published: October 2022

AbstractEco‐friendly, easy, fast and scalable strategies for robust superhydrophobic coatings are of great significance for industrial application. Herein, a robust fluorine‐free superhydrophobic coating is prepared via spraying the mixed suspension which consist of silica nanoparticles and hydrophobic acid‐catalyzed silica sol. The adhesive which is synthesized through hydrolyzation and condensation of silane precursors (TEOS, MTMS, HDTMS) shows good compatibility with silica nanoparticles. When the mass ratio of SiO2/adhesive was 0.025 : 1, the prepared coating exhibited good non‐wettability with a WCA of 164° and a RA of 2°. Moreover, due to the hydrophobic acid‐catalyzed silica sol which bonds silica nanoparticles together, the coatings also demonstrate well mechanical robustness. After 60 g sand impacted on the surface of as‐prepared coating from a height of 1 m, the surface still showed superhydrophobicity with a WCA of 152° and a RA of 6°. And the as‐prepared coating could endure the sandpaper abrasion for 80 cm. Furthermore, the adhesion of as‐prepared coatings to substrates can reach the highest 5 A level. The current work provides an easy and promising approach to meet the challenges in practical applications simultaneously posed by the fluorine‐free, low‐cost, mechanical robustness as well as large‐scale preparation of silica‐based superhydrophobic coatings.
Efficient Synthesis of Highly Photo‐stable N‐doped Carbon Quantum Dots and their Applications in Detection and Cellular Imaging of Mercury Ions
Authors: Wu Shunwei , Yin Yongzheng , Sun Chunyan , Song Weijun 
Published: October 2022

AbstractIn this work, the nitrogen doped carbon quantum dots (N‐CQDs) were synthesized by a simple microwave hydrothermal method using citric acid (carbon source) and urea (dopant) and optimized the preparation conditions by orthogonal tests. The synthesized N‐CQDs emitted a bright blue fluorescence with specific selectivity for Hg2+. The study revealed a static quenching mechanism of Hg2+ on the N‐CQDs. The N‐CQDs showed good linear correlation in the range of 0–120 μM for the detection of Hg2+ with a low detection limit of 22.50 nM. We also demonstrated the suitability of the N‐CQDs for the detection of Hg2+ in tap water and industrial wastewater with spiked recoveries of 97.56 %–103.58 %. In addition, the synthesized N‐CQDs with high fluorescence intensity, good optical stability and biocompatibility were successfully applied to fluorescent inks and imaging of Hela cells. This indicated that the synthesized N‐CQDs have promising applications in Hg2+ detection, bioimaging, and fluorescence anti‐counterfeiting.
Selective Aminothiazole‐Derivative Probe for Detection of Phosphate in Freshwater
Authors: da Silva Janail Rodrigues , Bramante Gabriela Colosso , Nordi Cristina Souza Freire , Gonçalves Norberto S. , Bagatin Izilda A. 
Published: October 2022

AbstractPhosphate anions have been used in agriculture, the food industry, and cleaning products, and their excess causes eutrophication of drinking water and aquatic systems, affecting the entire aquatic ecosystem. This study developed an aminothiazole‐derivative selective probe to recognize phosphate, even in high levels of contaminants, through hydrogen donor groups using UV‐Vis and NMR spectroscopies to overcome the challenges. Chemosensors 1 depicted high sensibility and selectivity for PO43− anion demonstrated by the UV‐Vis; the limit of detection (LOD) for PO43− (2.4×10−7 mol dm−3) validated it as a chemosensor with low concentrations detection for anions, and 1 was utilized to detect and analyze real water samples with recoveries of 91 % and 109 %. NMR titrations confirmed that the binding mechanism of the chemosensors 1 occurred by hydrogen bonding of the NH amide group with that ion. Chemosensor 1 exhibited a low‐cost, easy‐to‐use, and selective phosphate detection in freshwater, even in high nitrite and nitrate anions concentrations in eutrophic environments.
Photovoltaic Performance Improvement of All‐Inorganic CsPbBr3 Perovskite Solar Cells by Antisolvent Assisted Crystallization
Authors: Liu Chang , Liu Zhuang , Chen Jianlin , Tian Qiaoqiao , Wu Lin , Peng Zhuoyin , Chen Jian 
Published: October 2022

AbstractAll‐inorganic CsPbBr3 perovskite solar cells (PSCs) are expected to form semitransparent or top‐cell of tandem solar cells with Cu(In,Ga)Se2 or crystalline silicon solar cells owing to their outstanding environmental tolerance and wide bandgap. However, the commonly solution‐processed CsPbBr3 perovskite films usually suffer from inferior film quality. Herein, we propose antisolvent assisted crystallization method to prepare CsPbBr3 films by multi‐step spin‐coating process. During the spin‐coating step, the underlying PbBr2 layer is treated with anisole antisolvent in different amount of 0, 50, 100, 150, and 200 μl, respectively, and heated at 80 °C for 30 min. Thus, CsPbBr3 films with high crystallinity, less grain boundaries and good coverage are prepared. The champion power conversion efficiency (PCE) of devices based on antisolvent treatment reaches 6.5 %, compared to that of devices without antisolvent treatment (PCE 4.97 %). Moreover, the devices treated with antisolvent without encapsulation exhibit good stability under ambient conditions. The antisolvent assisted crystallization provides an effective route for improving the quality of CsPbBr3 films and promotes the commercialization of all‐inorganic CsPbBr3 PSCs.
Conformational Landscape and Properties of Psilocybin: A Computational Approach
Authors: Bhadoria Poonam , Ramanathan Venkatnarayan 
Published: October 2022

AbstractThe conformational manifold of psilocybin, a psychedelic molecule, was extensively explored using DFT method. Two most stable conformers were identified and the second most stable conformer was found to be 2.08 kcal/mol higher than the global minimum. The barrier of rotation between the two conformers was found to be 14.63 kcal/mol. The structural and spectroscopic parameters of both these conformers were similar. AIM (Atoms in molecule) calculation revealed very strong intramolecular H‐bond interactions in both the conformers. The structural parameters of these two conformers significantly matched with the earlier reported crystal structure of psilocybin. Further properties of these conformers were investigated using FMO (Frontier molecular orbital), AIM (Atoms in molecule), ESP (Electrostatic potential) calculations. UV (Ultraviolet)‐visible, IR (Infrared) and 1H‐NMR (Proton nuclear magnetic resonance) spectra were also computed. All the predicted results matched exceedingly well with the earlier reported literature.
Highly Chemoselective Reduction of Amides to Amines over a Ruthenium‐Molybdenum Bimetallic Catalyst
Authors: Zhang Yue , Zhang Fan , Li Lin , Liu Fei , Wang Aiqin 
Published: October 2022

AbstractThe chemoselective reduction of amides is important in the synthesis of fine chemicals and inter‐mediates. However, the highly stable amide bond due to the orbital overlap between the nitrogen lone pair and the antibonding orbital of the carbonyl group poses a significant limitation in developing suitable heterogeneous catalysts. In this work, we have developed a highly efficient and robust Ru‐(0.2)Mo/TiO2 catalyst for the chemoselective reduction of primary amides. As a consequence, the catalyst afforded 83.1 % conversion with 80 % selectivity of the primary amine after reaction for 12 h for the HDO of cyclohexanecarboxamide at 160 °C. Moreover, the catalyst also presented excellent reusability and substrate diversity. The characterizations of the catalyst revealed that Ru promoted the reduction of Mo6+ to Mo5+ and Mo0, and the resultant low‐coordinated Mo5+ is responsible for the selective activation of the C=O bond of the amide, while RuMo alloy promoted the activation of hydrogen.
Nanozyme‐Enabled Treatment of Cardio‐ and Cerebrovascular Diseases
Authors: Zhang Yihong , Liu Wanling , Wang Xiaoyu , Liu Yufeng , Wei Hui 
Published: October 2022

AbstractCardio‐ and cerebrovascular diseases are two major vascular‐related diseases that lead to death worldwide. Reactive oxygen species (ROS) play a vital role in the occurrence and exacerbation of diseases. Excessive ROS induce cellular context damage and lead to tissue dysfunction. Nanozymes, as emerging enzyme mimics, offer a unique perspective for therapy through multifunctional activities, achieving essential results in the treatment of ROS‐related cardio‐ and cerebrovascular diseases by directly scavenging excess ROS or regulating pathologically related molecules. This review first introduces nanozyme‐enabled therapeutic mechanisms at the cellular level. Then, the therapies for several typical cardio‐ and cerebrovascular diseases with nanozymes are discussed, mainly including cardiovascular diseases, ischemia reperfusion injury, and neurological disorders. Finally, the challenges and outlooks for the application of nanozymes are also presented. This review will provide some instructive perspectives on nanozymes and promote the development of enzyme‐mimicking strategies in cardio‐ and cerebrovascular disease therapy.
Identifying safety issues from energy conservation requirements
Authors: Madala Kaushik , Do Hyunsook , Tenbergen Bastian 
Published: October 2022

AbstractIn cyber‐physical systems such as robots and automated vehicles that rely heavily on batteries, safety, and energy conservation can result conflicting requirements when not considered together. In systems engineering, the development begins at a concept phase where we have high‐level information of different components of the system. During the concept phase, we perform hazard analysis and risk assessment, define safety goals, and derive safety requirements. This means requirement engineering occurs at the end of the concept phase. However, energy conservation recommendations are not taken into consideration until the detailed design with specific hardware and software is known. Hence, it is possible to recommend energy conservation behaviors that can compromise system's safety. If we perform a trade‐off analysis between safety and energy conservation at a concept phase, we can propose various design alternatives and choose the best one that offers a safe and energy saving architecture. To achieve this goal, we propose an approach for identifying safety issues that can be caused by energy conservation recommendations. To evaluate the effectiveness of our approach, we performed an empirical study on four robotic systems. Our results show that we can find energy conservation recommendations that can compromise safety at a concept phase.
Uncovering the hidden diversity of the rosette‐forming Selaginella tamariscina group based on morphological and molecular data
Authors: Yang Jie , Xiang Qiao‐Ping , Zhang Xian‐Chun 
Published: October 2022

AbstractPlants of the Selaginella tamariscina group are common rosette‐forming species showing great morphological variability across their distribution range. Integrating chloroplast genome data and morphological evidence, we studied the species delimitation within this group. We newly sequenced the complete chloroplast genomes of 53 individuals representing almost the entire geographical distribution of this group. Our phylogenetic analyses yielded a consistent topology dividing the S. tamariscina group into five major clades, which is further supported by principal component analysis of 18 morphological characters taken from 80 herbarium specimens. Based on the results of molecular analyses and morphological studies combined with the distribution information, we finally recognize five species in the S. tamariscina group, including two new species (S. algida sp. nov., S. graniticola sp. nov.), and one new subspecies (S. pulvinata subsp. qinbashanica subsp. nov.).
Socio‐economic, legal, and political context of offshore renewable energies
Authors: Salvador Santiago , Ribeiro Marta Chantal 
Published: October 2022

AbstractOffshore renewable energies have been identified as important clean sources of energy in line with sustainable development goals. However, their use can generate conflicts with other maritime activities, as well as the protection of biodiversity and the marine environment. This article analyses the influence of regulatory frameworks and ocean governance in the implementation of such devices, from a legal–political point of view. In this sense, it studies how the law of the sea addresses potential international conflicts between ocean energy installations and other activities (e.g., navigation) developed by other states. It also studies the importance of preventive legal tools—marine spatial planning, strategic environmental assessment, and environmental impact assessment—to anticipate and reduce clashes with other sea users as well as environmental damages that may be caused by these structures. Likewise, this research analyses different national consent procedures and legal–economic supporting schemes, to identify those that boost the implementation of such projects more quickly. Finally, the relevance of enhancing the involvement of affected coastal communities and local stakeholders in the decision‐making processes, as well as in the socio‐economic benefits of offshore renewable energy projects to increase their social acceptance, is also emphasized.This article is categorized under:Policy and Economics > Governance and RegulationPolicy and Economics > Energy TransitionsPolicy and Economics > Regional and International Strategies