bluuebunny/crossref_metadata_2025_split huggingface dataset:
Variational Shadow Quantum Circuits Assisted Quantum Convolutional Neural Network
Authors: Feng Yan‐yan , Li Yan , Li Jie , Zhou Jian , Shi Jin‐jing 
Published: January 2025

AbstractConvolutional neural network (CNN), as a prominent machine learning model, is crucial in image classification and feature extraction by completely utilizing the correlation information of data. Currently, the CNN is facing the challenges of slow computing speed, expanding data scale and poor interpretation for rapidly increasing Hilbert space. Fortunately, quantum convolutional neural network (QCNN) promises an elegant solution to improve the efficiency of data processing by combining the superiority of quantum computing and the feature extraction capability of the CNN. However, most of the existing QCNNs have the problem that they are feeble to extract global features effectively and coincidentally variational shadow quantum circuit (VSQC) can preferably figure out it. Accordingly, an enhanced QCNN assisted by the VSQC (VSQC‐QCNN) is developed. To be specific, the input data is primarily preprocessed by the VSQC module to establish global entanglement and extract effective features. Then the output shadow features are further processed by encoding, quantum circuit evolution and decoding through quantum convolutional layer and the dimensionality of the feature results is reduced through the pooling layer. When the data dimension is small enough, it is fed into a fully connected neural network to make classification predictions via activation functions. Experiments conducted on the MNIST dataset through the VQNet quantum framework demonstrate that the VSQC‐QCNN model is with performance surpassing the original QCNN in terms of loss function, classification accuracy and training speed. In addition, it is proved that the VSQC‐QCNN model has good astringency and stability under different circuit depths, widths and learning rates. Remarkably, the classification average accuracy of the model can reach up to 99% (even 100% for a few cases). Finally, experiments are also performed on Fashion‐MNIST and Iris datasets, indicating that the designed model has good universality.
Quantum Ghost Imaging by Sparse Spatial Mode Reconstruction
Authors: Nothlawala Fazilah , Moodley Chané , Gounden Neelan , Nape Isaac , Forbes Andrew 
Published: January 2025

AbstractIn a conventional quantum imaging experiment, the image of the object is retrieved directly with single photon camera technology, or computationally with a single‐pixel detector and pixelated projective masks. In all these approaches, the resolution of the image is dictated by the pixel resolution of the detection devices. In this paper, the traditional spatial basis of pixels is replaced with spatial modes, exploiting their unique features to enhance image fidelity and resolution and improve reconstruction accuracy through modal sparsity. This approach can be used even when the modes are not orthogonal, demonstrating the principle with highly efficient phase‐only approximations to the modal basis. By numerical simulation and experimental analysis, the advantages of this approach are illustrated, which include faster convergence to the object, with higher signals and fidelity, which are demonstrated with an order of magnitude less masks than conventional approaches for the same fidelity in outcome. Unlike the basis of pixels, the resolution of the image is not dictated by the resolution of the detectors, opening a path to high‐resolution quantum imaging of complex objects.
Soil carbon sequestration potential in subtropical grasslands estimated by DayCent‐CABBI
Authors: Takeda Naoya , Rowlings David , Parton William , Grace Liam , Day Kenneth , Nguyen Trung , Grace Peter 
Published: January 2025

AbstractSoil carbon (C) sequestration by restoring degraded grasslands with adequate management practices offers significant opportunities for climate change mitigation while remaining highly uncertain. In this study, a combination of a biogeochemical model DayCent‐CABBI and eddy covariance (EC) flux towers was applied to evaluate soil C sequestration potential (at a depth of 0–0.3 m) of management strategies in subtropical grasslands. DayCent‐CABBI was calibrated for grasslands in northeast Australia using biomass and soil organic carbon (SOC) data from a long‐term trial and then fine‐tuned using EC flux tower data from seven sites in the region. The model was then validated with cumulative net ecosystem exchange, biomass, and SOC, resulting in root mean square errors of 1.16, 0.88, and 2.81 Mg C ha−1, respectively. The model was used to project long‐term changes in SOC stocks under innovative management practices (time‐controlled grazing and pasture legume incorporation), estimating soil C sequestration by 0.37–0.48 and 0.15–0.26 Mg C ha−1 year−1 toward 2050 with the respective practices. This study confirms the validity of the Measure, Model, and Verification (MMV) approach to estimate and project soil C sequestration for evaluating SOC methodologies by grassland management within a shorter period than soil sampling—measuring the baseline SOC, modeling the C dynamics with the calibrated DayCent‐CABBI, and verifying the projected soil C sequestration with EC flux tower data.
Land‐use effects on soil organic matter and related soil properties in a mixed agricultural–forest landscape of central Wisconsin, USA
Authors: Hofmeister Kathryn L. , Feitl Gwen , Tackett Kaylee , Fleury Leah , Nave Lucas E. 
Published: January 2025

AbstractSoil organic matter (SOM) influences a wide range of ecosystem processes, including nutrient cycling, water movement, plant productivity, and biodiversity. In agricultural landscapes, adjacent land uses often differ in SOM contents and related soil properties, such as soil organic carbon (SOC) stocks, but the direction and magnitude of these effects are inconsistent across studies. We assessed how land uses differed in SOM and related properties in a representative US Midwest agricultural–forest landscape to support land‐use and management decisions by local landowners and producers. We measured SOM, bulk density (Db), root biomass, and pH, and estimated SOC stocks, in a Typic Hapludalf under four adjacent land uses (permanent forest, pasture, restored prairie on former pasture, and spruce plantation on former pasture). Surface SOM concentrations and stocks were higher under permanent forest (89 g kg−1 and 85 Mg ha−1, respectively) and pasture (63 g kg−1 and 81 Mg ha−1, respectively) than under restored prairie (49 g kg−1 and 58 Mg ha−1, respectively) and spruce plantation (46 g kg−1 and 46 Mg ha−1, respectively). Land uses also differed in Db, root biomass, and pH, with permanent forest and spruce plantation soils having generally lower Db, more root biomass, and more acidic pH than pasture and restored prairie soils. Specific statistically significant differences depended upon depth in the soil profile. Overall, our results suggest that each land use differentially impacts a unique set of soil properties, precluding any single explanation or management recommendation aimed at improving soil health as a whole.
Governance, Corruption, Trade Openness, and Innovation: Key Drivers of Green Growth and Sustainable Development in Türkiye
Authors: Naimoğlu Mustafa , Şahin Serkan , Özbek Sefa 
Published: January 2025

ABSTRACTThis research aims to scrutinize the determinants of green growth in Türkiye from 1995 to 2022, focusing on institutional quality, corruption, trade openness, and innovation. This study utilizes ARDL approach using annual data from 1995 to 2022 in Türkiye. The results indicate that high quality governance enhances green growth and efficient governance structures support sustainable development. On the contrary, the findings indicate that corruption gives harm to green growth. Therefore, stronger anti‐corruption measures can be instrumental in ensuring green growth. The results further show that increased trade openness is detrimental to green growth. These results suggest that greater trade openness leads to higher production, which in turn increases fossil fuel consumption, thereby hindering green growth. Finally, the positive impact of innovation on green growth emphasized the importance of patents and technological progress in promoting sustainability. These results direct policymakers' attention to improving governance, reducing corruption, aligning trade policies with environmental objectives and promoting innovation.
Recent Progress in Poly(ADP–Ribose) Polymerase‐1 Inhibitors for Application in Cancer
Authors: Mehra Anuradha , Islam Shahnaz , Sangwan Rekha 
Published: January 2025

AbstractAn ADP‐ribosylating enzyme called poly (ADP–ribose) polymerase 1 (PARP1) is necessary to start several types of DNA repair. PARP1 also contributes significantly to the regulation of gene expression through enzyme‐independent motif recognition and enzyme‐dependent chromatin remodeling. Thus, synthetic lethality is achieved in the therapy of tumors and cancers by blocking undesired DNA repair by the inhibition of its enzyme activity with small molecules. In addition to outlining the most recent research from 2019 to 2024 on the precise ways in which PARP1 regulates each process independently, we discussed how transcription and DNA repair are interdependent enough that perturbations caused by PARP1 enzymatic inhibition, disease‐related enzyme hyperactivation. Herein, this concept review systematically summarizes the different approach for designing selective PARP1 inhibitor that are i) PARP1–DNA trapping approach, ii) hybrid approach, iii) PROTAC approach, and iv) dual target inhibitor approach and updates on clinical trials.
Thiophene‐2‐ethylamine Based Schiff Base Ligands and Their Co(III), Ni(II), and Cu(II) Metal Complexes: Antimicrobial and Antidiabetic Activities
Authors: Latha Renukaradhya , Vijayakumar Giriyapura Revanasiddappa , Suchetan Parameshwar Adimule , Naveen Shivalingegowda , Somashekara Bhadrachar 
Published: January 2025

AbstractThiophene‐2‐ethylamine based Schiff base ligands, namely 2‐((E)‐(2‐(thiophen‐2‐yl)ethylimino)methyl)phenol (L1H), 2‐((E)‐(2‐(thiophen‐2‐yl)ethylimino)methyl)‐4‐nitrophenol (L2H) and 2‐((E)‐(2‐(thiophen‐2‐yl)ethylimino)methyl)‐4‐bromophenol (L3H) and their cobalt(III), nickel(II), and copper(II) metal complexes were synthesized and explored for their antimicrobial and antidiabetic properties. The ligands and the complexes were characterized by using FT‐IR, UV–visible, 1H‐NMR, 13C‐NMR, and mass spectral studies. Single crystal X‐ray data of the complexes Co(L1)3 and Cu(L1)2 were collected, which correlated with the respective structures. Antibacterial activity of the ligands and their complexes against gram‐positive bacteria Staphyloccus aureus, gram‐negative bacteria Escherichia coli and antifungal activity against fungi Aspergillus flavus and Pichia anomala were determined through the agar well diffusion method. Antidiabetic activity of the ligands and complexes was carried out by α‐amylase and α‐glucosidase inhibition methods. The results revealed that both ligands and complexes exhibit prominent antimicrobial and antidiabetic activities in µg/mL concentration. Among the synthesized compounds, L2H, Co(L2)3, and Ni(L2)2 were found to exhibit potent antimicrobial activity. However, potent antidiabetic activity was recorded with L1H, Co(L1)3, and Co(L3)3. Further computational Swiss ADME (absorption, distribution, metabolism, and excretion) tool was performed to prove the drug likeliness properties of the title compounds.
TBAI‐Promoted Electrochemical Cyclization: Synthesis of Quinazolines Using Cascade C—N Bond Generation
Authors: Kant Kamal , Naik Priyadarshini , Teli Yaqoob A. , Jyoti  , Kabi Arup K. , Singh Virender , Al‐Zaqri Nabil , Malakar Chandi C. 
Published: January 2025

AbstractAn electrochemical cyclization strategy is employed herewith for the eco‐friendly and cost‐effective synthesis of 2‐substituted quinazolines by using 2‐aminobenzylamines and aldehydes or alcohols as starting substrates. The reactions were conducted under two distinct reaction temperatures: 25 °C for aldehydes and 60 °C for alcohols. Tetra‐n‐butylammonium iodide (TBAI) participates in dual roles such as, an electrolyte and a mild reagent to facilitate the formation of quinazolines at a constant current of 30 mA using a graphite electrode as anode and a platinum electrode as cathode in dimethyl sulfoxide (DMSO) solvent. Under the devised process, the quinazolines were accomplished with broad substrate scope in excellent yields (up to 90%), which reduces the formation of toxic side products. The plausible mechanistic pathways have been formulated, which are supported by the control experiments and cyclic voltammetry studies. The findings demonstrate that under electrochemical conditions, iodonium ions are generated, which play a crucial role in enhancing the efficacy of the described method.
Computational Study on Anthrapyrazoles, Anthraisoxazoles, and Proposed Anthraisothiazoles: DFT and Molecular Docking Analysis
Authors: Patil Praful S. , Sekar Nagaiyan 
Published: January 2025

AbstractThe current research involves a computational examination of the anthrapyrazoles, anthraisoxazoles, and proposed anthraisothiazoles using density functional theory (DFT). Through this analysis, it was found that the heterocyclic cores exhibit significant chemical reactivity, serving as electron donor spots and active sites for potential electrophilic attacks. Various quantum chemical parameters, such as chemical potential, hardness, softness, electronegativity, and electrophilicity index, were determined to better understand the molecular behavior. The molecular structure was optimized, and its electronic nature was quantified using quantitative molecular electrostatic potential (QMEP) plots. Nonlinear optical (NLO) properties, including polarizability, first‐order hyperpolarizability, and second‐order hyperpolarizability of proposed anthraisothiazoles (P15–P19), lie in between the anthrapyrazoles and anthraisoxazoles. In a molecular docking study, the inhibitory potential against topoisomerase IIα bound to DNA (PDB ID: 6ZY6) binding proteins was observed that the oxygen and nitrogen atom combinational anthraisoxazoles (P6–P14) played a crucial role in the binding interactions.
Synthesis of Novel Porous Graphitic Carbon Xerogel‐Supported Uniform Platinum Nanoparticle for Oxygen Reduction Reaction
Authors: Wang Zihui , Wang Yiyang , Luo Qin , Wang Shenghan , Yi Yong 
Published: January 2025

AbstractCarbon corrosion is the main reason of the limited activity of Pt‐based electrocatalysts during the oxygen reduction reaction (ORR). To address the above question, a novel porous graphitic carbon xerogel (PGCXG) was synthesized by one step high temperature annealing and hydrogen peroxide (H2O2) modification. This PGCXG not only has a highly graphitized structure (ID/IG = 0.638) but also has abundant pores on the surface (SBET = 568 m2 g−1). Furthermore, according to the IR spectrum and XPS spectrum analysis, H2O2 treatment enriched the types of oxygen groups on the surface of CXG. The PGCXG was used as the support material to prepare a Pt‐based catalyst with ultrasmall platinum nanoparticles (Pt NPs ∼2 nm) using the polyol method. As a result, the as‐prepared Pt@PGCXG exhibited a large electrochemical active surface area (ECSA) that is 75.7 m2 gPt−1, and the ECSA remains 80.7% after 5000 cycles of accelerated durability testing (ADT) in the high voltage range (1–1.5 V versus RHE) that is better than commercial Pt/C (TKK). The mass activities (MA) of Pt@PGCXG is 250.9 A gPt−1, which is 2 times that of MA (112.6 A gPt−1) of commercial Pt/C.
Unravelling the Epitaxial Growth Mechanism of Hexagonal and Nanoporous Boron Nitride: A First‐Principles Microkinetic Model
Authors: Payne Anthony J. R. , Jr Neubi F. Xavier , Tamtögl Anton , Sacchi Marco 
Published: January 2025

AbstractUnderstanding the chemical and physical mechanisms at play in 2D materials growth is critical for effective process development of methods such as chemical vapor deposition (CVD) as a toolbox for processing more complex nanostructures and 2D materials. A combination of density functional theory and microkinetic modeling is employed to comprehensively investigate the reaction mechanism governing the epitaxial growth of hexagonal boron nitride (hBN) on Ru(0001) from borazine. This analysis encompasses four key stages prior to the formation of the complete hBN overlayer: (i) adsorption, diffusion and deprotonation of borazine, (ii) dimerization and microkinetic modeling (iii) stability of larger borazine polymers and (iv) formation of nanoporous intermediates. In doing so, the exact deprotonation sequence is followed for the first time, illustrating its crucial role for the formation of nanostructures. These findings not only provide insights into the epitaxial growth of hBN and the stability of intermediate overlayers, which are strongly dependent on surface temperature and the amount of precursor exposures, they offer also crucial guidance for producing high‐quality hBN monolayers with regular patterns or functionalisation. Importantly, these results align with experimental data and provide a detailed model which explains temperature‐dependent, in‐situ surface measurements during hBN growth on Ru and other substrates.
Enhancing the Performance of Hole‐Conductor‐Free Printable Mesoscopic Perovskite Solar Cells through Polyaniline‐Mediated Iodine Recycling and Defect Passivation
Authors: Xie Jiayu , Liu Jiale , Ma Yongming , Xiang Junwei , Wang Xiaoru , Gao Qiaojiao , Chen Long , Lin Ziheng , Shi Yuan , Zhou Yang , Ming Yue , Mei Anyi , Han Hongwei 
Published: January 2025

AbstractPrintable mesoscopic perovskite solar cells (p‐MPSCs) provide an opportunity for low‐cost manufacturing of photovoltaics. However, the performance of p‐MPSCs is severely compromised by iodine defects. This study presents a strategy by incorporating polyaniline (PANI) to achieve both iodine recycling and iodine defect passivation to significantly improve the performance of p‐MPSCs. PANI captures and immobilizes iodine ions, establishing a stable iodine recycling system that effectively suppresses iodine loss. Additionally, the Lewis base properties of PANI enable it to passivate iodine defects within the perovskite and suppress nonradiative recombination. With the synergistic effects, PANI increases the power conversion efficiency of the champion device from 18.28% to 20.24%. This strategy offers a potential solution for enhancing the performance of p‐MPSCs with promising implications for practical applications.
Group IV Bimetallic MOFs Engineering Enhanced Metabolic Profiles Co‐Predict Liposarcoma Recognition and Classification
Authors: Zhang Heyuhan , Tao Ping , Tong Hanxing , Zhang Yong , Sun Nianrong , Deng Chunhui 
Published: January 2025

AbstractThe rarity and heterogeneity of liposarcomas (LPS) pose significant challenges in their diagnosis and management. In this work, a series of metal–organic frameworks (MOFs) engineering is designed and implemented. Through comprehensive characterization and performance evaluations, such as stability, thermal‐driven desorption efficiency, as well as energy‐ and charge‐transfer capacity, the engineering of group IV bimetallic MOFs emerges as particularly noteworthy. This is especially true for their derivative products, which exhibit superior performance across a range of laser desorption/ionization mass spectrometry (LDI MS) performance tests, including those involving practical sample assessments. The top‐performing product is utilized to enable high‐throughput recording of LPS metabolic fingerprints (PMFs) within seconds using LDI MS. With machine learning on PMFs, both the LPSrecognizer and LPSclassifier are developed, achieving accurate recognition and classification of LPS with area under the curves (AUCs) of 0.900–1.000. Simplified versions are also developed of the LPSrecognizer and LPSclassifier by screening metabolic biomarker panels, achieving considerable predictive performance, and conducting basic pathway exploration. The work highlights the MOFs engineering for the matrix design and their potential application in developing metabolic analysis and screening tools for rare diseases in clinical settings.
Recent Advances in Current Collectors for Aqueous Zinc‐ion Batteries
Authors: Li Hao , Li Le , Liu Wanxin , Jia Shaofeng , Yue Shi , Yang Yuanyuan , Wang Conghui , Tan Chao , Zhang Dan 
Published: January 2025

AbstractAqueous zinc‐ion batteries (AZIBs) are promising options for large‐scale electrical energy storage because of their safety, affordability, and environmental friendliness. As an indispensable component of AZIBs, a current collector plays a crucial role in supporting electrode materials and collecting the accumulated electrical energy. Recently, some progress has been made in the study of current collectors for AZIBs; however, only few comprehensive reviews on this topic are available. In this review, the systematic summary and discussion of research progress on current collectors for AZIBs is presented. Furthermore, the main challenges and key prospects for the future development of current collectors for AZIBs are discussed.
Work Engineering for Sustainability: Required Education in Engineering
Authors: Gemma Sandra F. B. , Braatz Daniel , Rocha Raoni , de Lima Flávia T. 
Published: January 2025

AbstractRecent research shows that there is a significant lack of subjects related to the area we call ‘work engineering’ in undergraduate engineering courses in Brazil. The organization of work and the challenges posed by production models directly impact the health and safety of workers and indirectly affect society. It is argued that ergonomics, as a scientific discipline and professional practice, can serve as a means for engineering to analyze and understand the variability present in the occupational environment. The objective here is to discuss work from a critical perspective and its central role in society and in the constitution of health, aiming to position it as a protagonist in the training of engineers, as well as to debate the need to integrate different fields and knowledge proposed by ‘engineering’. of work’. Finally, it discusses the importance of designing work situations in the context of engineering, highlighting how it can be a vector for transforming productive situations, enabling safe, healthy and efficient environments. In this sense, the expanded concept of ‘work engineering’ can contribute to social sustainability, laying the foundations for the construction of human relationships and more dignified work environments (SDG8, UN Agenda 2030).
Product-Production-CoDesign Thinking for Sustainable Manufacturing
Authors: May Marvin Carl , Schäfer Louis , Lachnit Tobias , Lanza Gisela 
Published: January 2025

AbstractManufacturing needs to contribute towards a sustainable future for the sake of preserving and enriching humanity on planet earth. This goal is enshrined in the Sustainable Development Goals (SGD) set forth by the United Nations. SGD 9 aims at building a resilient, innovative and sustainable industrialization. SGD 12 ensures sustainable consumption and production patterns. Currently, manufacturing falls short of achieving these targets as product design and production engineering operate individually and sustainable practices are not focused. This industrial problem is reflected in the absence of holistic approaches that aim at sustainable production by providing applicable methods. To address this challenge, we propose Product-Production-CoDesign (PPCD) Thinking. With a clear focus on sustainability we delineate PPCD Thinking from Design Thinking and extend the notion towards manufacturing. It encompasses linear manufacturing (SGD 9) and circular production (SGD 12). Four case studies illustrate this software defined production enable PPCD Thinking and its customizability. In a nutshell, Product-Production-CoDesign Thinking, thus, can contribute to moving towards sustainable manufacturing and net zero.