bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insight into material behavior via surface free energy calculations for common energetic materials
Authors: Brahmbhatt Janki , Chaudhuri Santanu 
Published: June 2024

AbstractThe Gibbs Free energy is a driving force for equilibrium crystal shapes and the formation of crystal facets in molecular crystals. Orientation dependence of interfacial properties is linked to surface free energy (SFE). Prediction of orientation‐dependent properties such as thermal stability, mechanical response, and compatibility with binders require a systematic approach to the quantification of SFE. In molecular crystals, entropy has a much larger contribution among all ordered crystalline materials. In this paper, we extend our previously developed method to quantify SFE and entropy of β‐HMX to other common energetic materials–TATB, α‐RDX, and PETN. Two complimentary approaches, Nonequilibrium Thermodynamic Integration (NETI) and Steered Molecular Dynamics (SMD) methods are used to obtain insight into interfacial phenomena along with surface free energy estimates. We discuss the relevance of surface free energy and the importance of surface entropy for facetted molecular crystals in understanding crystal properties, activation of slip planes, and potential pathways for fracture. These values allow us to predict theoretical crystal shape using Wulff Construction, better understand the effect of hydrogen bonding on SFE, and the diversity of bonding environment in energetic crystals. In particular, in crystals with low stacking fault energy, the SMD values can be inconclusive due to the triggering of slip plane motions. In cases where SMD simulations lead to large deformations and high uncertainty, the NETI approach can still provide SFE estimates.
Correlation analysis between environmental factors and microphysical variables during the “Suizhou 812” heavy precipitation process in Suizhou City, Hubei Province of China
Authors: Guo Yinglian , Zhou Zhimin , Kang Zhaoping , Wang Minghuan , Li Jun , Cui Chunguang 
Published: June 2024

AbstractBased on numerical simulation, this study investigates the relationship between environmental factors and microphysical variables of a heavy precipitation event in Suizhou on August 12, 2021, aiming to provide a reference for studying the interaction mechanisms of physical processes involved at different scales. The results demonstrate that environmental instability factors give an early indication of heavy precipitation occurrence and play a crucial role in connecting microphysical processes in the middle/upper layers with water vapor uplift in the lower layers before and during heavy precipitation events. Most of the peak/valley values of both environmental factors and microphysical variables occur simultaneously with those of precipitation on the hourly time series. The vertical profile reveals that, before the occurrence of heavy precipitation, there is an initial strengthening of ascending movement in the middle to upper troposphere, leading to an increase in ice‐phase particles and cloud water within these layers. Additionally, gravity sedimentation and melting significantly contribute to increased rainwater content within the lower to middle layers. When heavy precipitation occurs, intensified vertical velocity, vorticity, and water vapor convergence results in a decrease in cloud/rain particles' peak height and an increase in graupel particles' peak height. This leads to a prolonged collision process and heightened rainfall intensity. Furthermore, enhanced water vapor convergence promotes raindrops formation through colliding and coalescing with cloud droplets. By comparing variables/factors between extreme hourly heavy precipitation and general hourly heavy precipitation, it is suggested that the strengthened self‐feedback mechanism between microphysical latent heat release and vorticity may be one of the reasons for the occurrence of extreme hourly heavy rainfall.
Time variability and periodicities of cross‐regional hydroclimatic causation in the contiguous United States
Authors: Yang Xueli , Wang Zhi‐Hua , Li Qi , Lai Ying‐Cheng 
Published: June 2024

AbstractIdentifying and understanding various causal relations are fundamental to climate dynamics for improving the predictive capacity of Earth system modeling. In particular, causality in Earth systems has manifest temporal periodicities, like physical climate variabilities. To unravel the characteristic frequency of causality in climate dynamics, we develop a data‐analytic framework based on a combination of causality detection and Hilbert spectral analysis, using a long‐term temperature and precipitation dataset in the contiguous United States. Using the Huang–Hilbert transform, we identify the intrinsic frequencies of cross‐regional causality for precipitation and temperature, ranging from interannual to interdecadal time scales. In addition, we analyze the spectra of the physical climate variabilities, including El Niño‐Southern Oscillation and Pacific Decadal Oscillation. It is found that the intrinsic causal frequencies are positively associated with the physics of the oscillations in the global climate system. The proposed methodology provides fresh insights into the causal connectivity in Earth's hydroclimatic system and its underlying mechanism as regulated by the characteristic low‐frequency variability associated with various climatic dynamics.
Magnon‐Squeezing‐Enhanced Phonon Lasering in Cavity Magnomechanics
Authors: Zhang Qing‐Feng , Zhou Yue‐Ru , Liu Fei‐Fei , Wang Xue‐Yan , Gao Yong‐Pan , Fan Ling , Cao Cong 
Published: June 2024

AbstractPhonon lasers have long been a subject of interest and possess broad application prospects. Much effort is devoted to lay the foundation of realizing phonon lasers using cavity magnomechanical systems, but up to now no related work is carried out to explore the quantum‐squeezing‐engineered phonon laser action in cavity magnomechanics. Here, the phonon laser action is investigated in a three‐mode cavity magnomechanical system built based on a microwave resonator‐yttrium iron garnet sphere composite device, focusing on the effect induced by the magnon‐mode squeezing. It is found that the magnon squeezing can improve the effective magnon–photon and magnon–phonon coupling rates. It is demonstrated that the phonon laser action can be engineered and enhanced by changing the squeezing strength. This scheme provides a new mechanism to improve the effective magnon–photon and magnon–phonon couplings for various applications, and demonstrates the feasibility of realizing high‐gain and low‐threshold phonon lasers with cavity magnomechanical platforms.
Clinical efficacy and performance evaluation of a bendable remote robot system for a bone tumour surgery: A pilot animal study
Authors: Kim Seungmin , Shin Donghyun , Lee Changhyeon , Yu Daehee , Cho Jongho , Bang Hyunhee , Lee Hyunjoo , Kim Donghyun , Park Ilhyung , Hong Jaesung , Joung Sanghyun 
Published: June 2024

AbstractBackgroundTraditional open surgery for bone tumours sometimes has as a consequence an excessive removal of healthy bone tissue because of the limitations of rigid surgical instruments, increasing infection risk and recovery time.MethodsWe propose a remote robot with a 4.5‐mm diameter bendable end‐effector, offering four degrees of freedom for accessing the inside of the bone and performing tumour debridement. The preclinical studies evaluated the effectiveness, clinical scenario, and usability across 12 total surgeries–six phantom surgeries and six bovine bone surgeries. Evaluation criteria included skin incision size, bone window size, surgical time, removal rate, and conversion to open surgery.ResultsPreclinical studies demonstrated that the robotic approach requires significantly smaller incision size and procedure times than traditional open curettage.ConclusionThis study validated the performance of the proposed system by assessing its preclinical effectiveness and optimising surgical methods using human phantom and bovine bone tumour models.
A pathway for plastic waste in construction materials
Authors: Tul Muntaha Sidra , Keitsch Martina 
Published: June 2024

AbstractMass plastic production has exponentially increased plastic waste. The low rate of degradation causes plastic waste to end up in the oceans straining ecosystems globally. Besides pollution avoidance, reusing plastic waste is a currently evolving strategy, for example, in the construction sector, to meet the increasing demand for housing due to rapid urbanization and population growth. The following literature review summarizes the current approaches of plastic waste applications in the construction sector along with their varying compositions and properties to mitigate the environmental impacts of marine plastic pollution. The review indicates that firstly, extended research on reusing plastic waste for applications in building materials is needed to overcome existing challenges and that secondly, policies should be designed in accordance with Sustainable Development Goals (SDGs) to commercialize plastic waste in building materials to approach a circular economy. The article aims at promoting sustainability by raising awareness among stakeholders to reuse plastic waste in construction applications.
P‐6.9: Research on the technologies of Dual Side Mix GOA to realize the narrow border on the Panel
Authors: HUO Peirong , XU Jingyi , XIE Jianyun , ZUO Xiongcan , TANG Wulijibaier , ZHANG Yongqiang , XIAO Zhenhong , ZHAO Shun , XUE Hailin 
Published: June 2024

In this paper, an asymmetric bilateral driving GOA model is proposed. The model is left‐right asymmetric and consists of a GOA output stabilization unit and a GOA output compensation unit. Respectively, which work together to drive and control a row of pixels. The stabilizing and compensating units alternate between left and right, and the two rows of pixels form a cycle, which we call DSMG (dual side mix goa).The above asymmetric dual‐side drive GOA model can achieve line‐by‐line stable output, and maximize the reduction of the number of TFTs and capacitors, can be compared with the traditional dual‐side symmetric drive GOA circuit to reduce the layout space of at least 50μm, the research has passed the invention of patent applications, and effectively promote the development of the narrow bezel of the display.
Identification of Novel Thiazolidinedione Based Pancreatic Lipase Inhibitors for the Management of Obesity Using In Silico Approach
Authors: Khator Rakesh , Singh Yogesh , Asati Vivek , Monga Vikramdeep 
Published: June 2024

AbstractAccumulation of excessive fat in the body is an indication of obesity, which is becoming an alarming health concern around the world. Pancreatic lipase has been found to have a promising role in the digestion of dietary fats thereby inhibition of pancreatic lipase can be a therapeutic strategy for the management of obesity. Literature showed the anti‐pancreatic lipase potential of thiazolidinediones thereby the current study is designed to identify substituted thiazolidinedione‐based molecules as pancreatic lipase inhibitors. A 3D QSAR model with R2 value of 0.7283 and Stability of 0.843 was generated to determine the nature of substitution necessary for the inhibitory activity. Based on the generated 3D QSAR, the activity of 352 novel‐designed molecules was predicted and further screened through pharmacokinetic parameters. These compounds were docked into the binding site of the pancreatic lipase which led to the identification of 14 hit molecules with dock score between −9.523 to −7.604 kcal/mol. The molecular simulation studies and free energy calculation of the hit compounds i. e. 87 and 80 revealed good stability and binding in the active site of pancreatic lipase. The current study provides 14 hit molecules, which can be synthesized and further evaluated to explore their anti‐pancreatic lipase inhibitory activity.
Advancements in the Heterogeneous Catalytic Hydrogenation of Furfural to Downstream Products
Authors: Zhang Wei , Ma Sifang , Yang Jing‐He 
Published: June 2024

AbstractFurfural is a 5‐membered heterocyclic compound derived from biomass and can be converted into various chemicals and biofuels through hydrogenation. Furfural conversion invariably requires the involvement of catalysts. The performance of these catalysts predominantly hinges on the characteristics of the metal active sites, the properties of the support, and the regulation of reaction conditions. Therefore, the selection of metals and supports, the preparation methods of catalysts, as well as the determination of reaction solvents, temperature, pressure, and catalyst dosage are the factors that researchers need to consider. Based on this, this present review focuses on the production process and heterogeneous catalytic system selection of furfural hydrogenation to prepare downstream products since 2018. It provides a brief introduction to the corresponding catalytic reaction mechanisms, focuses on the effects of different metals and supports on catalytic performance, and provides an outlook on this research direction.
Anthraquinone and its Derivatives as a Recyclable Photocatalyst for Efficient Photocatalytic Degradation of Rhodamine B in Water under Visible Light
Authors: Su Anqun , Zhang Mayin , Meng Wenyi , Jiang Dabo , Yang Tao , Yang Cheng , Liang Shuting , Zhou Junzuo , Yang Qiangbin , Xu Longjun 
Published: June 2024

AbstractThis study presents findings that suggest it is possible to fine‐tune and enhance the optical properties of anthraquinone (AQ) and its photocatalytic performance in the degradation of rhodamine B (RhB) at the molecular level through varying its keleton substituents. Specifically, the electron‐withdrawing substituent demonstrates a more pronounced improvement effect compared to the electron‐donating substituent. Out of the several compounds, 2‐carboxyanthraquinone (AQ−COOH) exhibits the highest photocatalytic activity. This is due to its ionization in water, generating H+ ions that enhance the destruction of RhB through photodegradation. After 30 min of exposure to visible light, the degradation rate of RhB reaches an impressive 99.9 %. It is noteworthy that a hydrochloric acid solution with a concentration of 0.5 mmol ⋅ L−1 has a considerable promoting impact on the photodegradation of RhB catalyzed by AQ−COOH, and that the total degradation of RhB can be accomplished in 15 min. In addition, AQ−COOH also has good applicability for the degradation of tetracycline, methylene blue, and methyl orange. As a recyclable solid catalyst, the catalytic activity of AQ−COOH remained mostly unchanged after being used five times. Additionally, AQ−COOH did not undergo degradation when exposed to visible light, indicating its excellent stability in the process of catalyzing RhB degradation. According to quenching experiments and EPR spectrum characterizations, the photo‐generated active species oxygen vacancies (h+), photogenerated electrons (e−), superoxide free radicals (O2⋅−), singlet oxygen (1O2) and hydroxyl radical (•OH) are involved in the hypothesized photo‐catalytic degradation mechanism.
Thiocarbonyl‐Based Hole Transport Materials with Enhanced Defect Passivation Ability for Efficient and Stable Perovskite Solar Cells
Authors: Tan Junhong , Tang Rong , Wang Ruiqin , Gao Xing , Chen Kaixing , Liu Xiaorui , Wu Fei , Zhu Linna 
Published: June 2024

AbstractOrganic hole transporting materials (HTMs) are extensively studied in perovskite solar cells (PSCs). The HTMs directly contact the underlying perovskite material, and they play additional roles apart from hole transporting. Developing organic HTMs with defect passivation function has been proved to be an efficient strategy to construct efficient and stable PSCs. In this work, new organic molecules with thiocarbonyl (C═S) and carbonyl (C═O) functional groups are synthesized and applied as HTMs (named FN‐S and FN‐O). FN‐S with C═S can be facilely obtained from FN‐O containing C═O. Notably, the C═S in FN‐S results in superior defect passivation ability compared to FN‐O. Moreover, FN‐S exhibits excellent hole extraction/transport capability. Conventional PSCs using FN‐S as HTM show an impressive power conversion efficiency (PCE) of 23.25%, with excellent long‐term stability and operational stability. This work indicates that simply converting C═O to C═S is an efficient way to improve the device performance by strengthening the defect passivation functionality.
Sustainable Oily Liquid‐Proof Passive Cooling (SOC) Textile for Personal Thermal Management
Authors: Wang Shuai , Li Feiran , Zhao Xuezeng , Pan Yunlu 
Published: June 2024

AbstractSweat passive‐cooling textiles with asymmetric wettabilities on different sides offer an effective and low‐energy consumption solution to personal thermal management in extreme thermal environments. However, the sweat‐wicking and the cooling abilities decrease when the textile is contaminated by low‐surface tension oily liquid fouling. The integration of anti‐oily liquid fouling and sweat‐wicking abilities on textile involves resolving the contradiction between hydrophilic and oleophobic properties and seeking eco‐friendly short‐chain fluorides to reduce the surface energy. Herein, a sustainable oily liquid‐proof passive cooling (SOC) textile for personal thermal management is proposed. The SOC textile is obtained by applying a fluoride‐free hydrophobic coating layer to one side of the high thermal conductive superoleophobic/superhydrophilic basal textile, which is fabricated using eco‐friendly short‐chain fluoride. The SOC textile preserves the anti‐oily liquid fouling property even after 2000 abrasion cycles. Experimental test revealed that the SOC textile exhibits a cooling effect of ≈5 °C compared with the cotton textile, and the up to 70% reduction in sweating rate under the constant metabolic heat production rates. The configuration of the SOC textile would inspire the future design of intelligent textiles for personal thermal management, and the proposed strategy have implications for fabrication of eco‐friendly oil‐water separation materials.
Advances in Drug Delivery Systems for the Treatment of Acute Myeloid Leukemia
Authors: Wu Xia , Wang Fangfang , Yang Xijing , Gong Yuping , Niu Ting , Chu Bingyang , Qu Ying , Qian Zhiyong 
Published: June 2024

AbstractAcute myeloid leukemia (AML) is a common and catastrophic hematological neoplasm with high mortality rates. Conventional therapies, including chemotherapy, hematopoietic stem cell transplantation (HSCT), immune therapy, and targeted agents, have unsatisfactory outcomes for AML patients due to drug toxicity, off‐target effects, drug resistance, drug side effects, and AML relapse and refractoriness. These intrinsic limitations of current treatments have promoted the development and application of nanomedicine for more effective and safer leukemia therapy. In this review, the classification of nanoparticles applied in AML therapy, including liposomes, polymersomes, micelles, dendrimers, and inorganic nanoparticles, is reviewed. In addition, various strategies for enhancing therapeutic targetability in nanomedicine, including the use of conjugating ligands, biomimetic‐nanotechnology, and bone marrow targeting, which indicates the potential to reverse drug resistance, are discussed. The application of nanomedicine for assisting immunotherapy is also involved. Finally, the advantages and possible challenges of nanomedicine for the transition from the preclinical phase to the clinical phase are discussed.
Regulating Pseudo‐Graphitic Domain and Closed Pores to Facilitate Plateau Sodium Storage Capacity and Kinetics for Hard Carbon
Authors: Tang Zhi , Jiang Dan , Fu Zhouhao , Zhou Jia , Liu Rui , Zhang Rui , Sun Dan , Dhmees Abdelghaffar S. , Tang Yougen , Wang Haiyan 
Published: June 2024

AbstractHard carbon anode demonstrates exceptional potential in sodium‐ion batteries due to their cost‐effectivenss and superior plateau capacity. However, the proximity of the plateau capacity to the cut‐off voltage of battery operation and the premature cut‐off voltage response caused by polarization at high rates greatly limit the exploitation of plateau capacities, raising big concerns about inferior rate performance of high‐plateau‐capacity hard carbon. In this work, a facile pre‐oxidation strategy is proposed for fabricating lignin‐derived hard carbon. Both high‐plateau capacity and sodiation kinetics are significantly enhanced due to the introduction of expanded pseudo‐graphitic domains and high‐speed closed pores. Impressively, the optimized hard carbon exhibits an increased reversible capacity from 252.1 to 302.0 mAh g−1, alongside superior rate performance (174.7 mAh g−1 at 5 C) and stable cyclability over 500 cycles. This study paves a low‐cost and effective pathway to modulate the microstructure of biomass‐derived hard carbon materials for facilitating plateau sodium storage kinetics.
Direct Melt‐Calendaring of Highly Textured (Bi,Sb)2Te3 Thick Films: Superior Thermoelectric and Mechanical Performance via Strain Engineering
Authors: Guo Siming , Zhu Wei , Han Guangyu , Zhang Qingqing , Zhou Jie , Guo Zhanpeng , Bao Shucheng , Liu Yutong , Zhao Shijie , Wang Boyi , Deng Yuan 
Published: June 2024

AbstractThe evolutions of chip thermal management and micro energy harvesting put forward urgent need for micro thermoelectric devices. Nevertheless, low‐performance thermoelectric thick films as well as the complicated precision cutting process for hundred‐micron thermoelectric legs still remain the bottleneck hindering the advancement of micro thermoelectric devices. In this work, an innovative direct melt‐calendaring manufacturing technology is first proposed with specially designed and assembled equipment, that enables direct, rapid, and cost‐effective continuous manufacturing of Bi2Te3‐based films with thickness of hundred microns. Based on the strain engineering with external glass coating confinement and controlled calendaring deformation degree, enhanced thermoelectric performance has been achieved for (Bi,Sb)2Te3 thick films with highly textured nanocrystals, which can promote carrier mobility over 182.6 cm2 V−1 s−1 and bring out a record‐high zT value of 0.96 and 1.16 for n‐type and p‐type (Bi,Sb)2Te3 thick films, respectively. The nanoscale interfaces also further improve the mechanical strength with excellent elastic modules (over 42.0 GPa) and hardness (over 1.7 GPa), even superior to the commercial zone‐melting ingots and comparable to the hot‐extrusion (Bi,Sb)2Te3 alloys. This new fabrication strategy is versatile to a wide range of inorganic thermoelectric thick films, which lays a solid foundation for the development of micro thermoelectric devices.