bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cold‐pressing, ethanol defatting, and saline extraction enhances properties of protein products from new pennycress varieties (covercress™)
Authors: Hojilla‐Evangelista Milagros P. , Evangelista Roque L. , Selling Gordon W. , Ulmasov Tim N. 
Published: April 2024

AbstractPennycress (Thlaspi arvense L.), a winter oilseed and cover crop, is a source of novel proteins and oil for biofuel. New yellow‐seeded pennycress specialty varieties, named covercress™, were developed via conventional breeding and gene editing, but protein characteristics are still unknown. This work evaluated two covercress lines, TT8 and Y1126, for protein extraction and functionality, and the combination of cold‐pressing, alcohol‐defatting, and saline extraction to produce a protein that could align better with clean labeling. Seeds were first cold‐pressed in a tubular radial expeller then defatted at 60°C with anhydrous ethanol (‐Eth) or hexane (‐Hex) until ≤0.8% residual oil. Protein was extracted from defatted press cake (PC) using the saline method (0.1 M NaCl, 1: 10 w/v, 50°C, 2 h) for hexane‐defatted wild‐type pennycress (WTP) seed meal and PC. TT8 PC had 33%–67% more globulin and glutelin than WTP PC, but ethanol defatting reduced albumin + globulin amounts by 14%–32%. TT8 PC protein recoveries (63% and 40%) were 2‐ to 3‐fold greater than that of Y1126 PC‐Eth and their extracts had greater purity (85%–91% vs. 70% protein). Y1126 PC‐Eth protein showed a nearly constant 68%–70% solubility from pH 2 to 10, but TT8 PC‐Eth protein was more soluble in acidic pH (87%–90% solubility). Y1126 PC‐Eth protein showed greater foaming capacity (146–150 mL), while TT8 PC‐Eth protein had superior emulsifying properties (EAI 141–236 m2/g protein and ESI 13–26 min). This work demonstrated the enhanced functionality of TT8 and Y1126 proteins produced from an environmentally friendly and industrially relevant method.
Computational Screening for the Identification of Potential Phytochemical Inhibitors of Leishmania infantum Trypanothione Reductase
Authors: Bourhia Mohammed , Shahab Muhammad , Bouhaissa Mohamed , Jardan Yousef A. Bin , Ouahmane Lahcen , Msanda Fouad 
Published: April 2024

AbstractLeishmaniasis is a vector‐borne parasitic disease that possesses high morbidity and a variety of clinical manifestations. Of all the clinical manifestations, visceral leishmaniasis (VL) is the deadliest and its etiological organisms are mainly Leishmania infantum (L. infantum) and Leishmania donovani (L. donovani). In the tropical and subtropical regions, L. infantum is the main causative agent of VL, and it creates a favorable biological milieu in the host through the multifaceted action of its trypanothione reductase (TryR), which mediates the reduction of oxidized trypanothione to its reduced form, leading to the replenishment of the antioxidant capacity of the parasite and detoxifying the reactive oxygen and nitrogen species imposed by the host's immune system. The distinct structural and functional differences of this enzyme compared to its human homologs and its pivotal role in the survival of the parasite have rendered it an attractive target for drug discovery odysseys. Consequently, this study aims to identify potential inhibitors of TryR of L. infantum from Allium sativum (A. sativum) using molecular modeling techniques. The identified compounds were first screened using molecular docking, after which the pharmacokinetics properties of the top‐scoring compounds were further evaluated. Further evaluation of the stability of the complexes of the lead compounds with TryR revealed their relative stability over 100 ns simulation period. Ultimately, the lead compounds namely beta‐sitosterol, (E)‐alpha‐bisabolene, and agapanthagenin were found to possess suitable properties based on the results of this study and can serve as inhibitors of TryR of L. infantum upon further in vitro and in vivo study.
Unveiling of Indanone‐Benzimidazole Hybrids as Anti‐Alzheimer's Agents: Computational and Experimental Studies
Authors: Kushwaha Pragati , Das Bhanuranjan , Kumar Rajnish 
Published: April 2024

AbstractThe growing concern of Alzheimer's disease underscores the urgent requirement for the development of novel therapeutic agents. In this study, a series of 15 hybrid molecules containing Indanone‐Benzimidazole heterocycles were designed utilizing the molecular hybridization approach. The synthesized molecules were characterized by spectroscopic techniques and their anti‐Alzheimer's behaviour were examined. Biological assessment demonstrated that compounds 14 and 15 exhibited significant reduction of “human” amyloid beta (Aβ) peptide aggregation, expressing on transgenic Caenorhabditis elegans (C. elegans) strain CL4176. These compounds were further evaluated for their AChE inhibitory effects in transgenic C. elegans strain CL2006 and found significant. Molecular docking investigations have elucidated the commendable affinity exhibited by the studied ligands towards the Aβ pentamer (PDB: 2BEG) and acetylcholinesterase (AChE) (PDB: 4EY7). Subsequent to these docking studies, molecular dynamics simulations were conducted, affirming the stability of both ligands in association with the Aβ pentamer and ACh. Additionally, Density functional theory (DFT) calculations were performed by using B3LYP energy level with the basis set 6–311 G (d, p) basis set to correlate with experimental results. Taken together, all these findings evidenced the experimental results and this study sheds light on the anti‐Alzheimer's potential of Indanone‐Benzimidazole hybrids.
Phthalocyanine‐Based Photosensitizers for Photodynamic Antibacterial Therapy
Authors: Zhou Shangmei , Zheng Naishu , Li Haochen , Zheng Ke 
Published: April 2024

AbstractBacterial infection poses a grave peril to human existence and well‐being, particularly with the emergence of drug‐resistant bacteria, leading to an alarming rise in the incidence of severe illness and mortality. Antimicrobial photodynamic therapy (aPDT) has emerged as one of the most promising strategies for combating bacterial infections due to its potent bactericidal efficacy and non‐inducement of resistance. The development of novel photosensitizers represents a viable approach to further enhance the efficacy of aPDT. Hence, the structural design and application strategies of phthalocyanine‐based photosensitizers were summarized to provide guidance in the development of highly efficient aPDT agents.
Versatile Biaryls and Fused Aromatics through Oxidative Coupling of Hydroquinones with (Hetero)Arenes
Authors: Aijima Takaaki , Ueda Rina , Nakane Takanori , Makino Fumiaki , Ohnishi Yusuke , Tokunaga Jin , Nakajima Keiichiro , Kamino Shinichiro , Kurisu Genji , Namba Keiichi , Nakata Hiroki , Mogi Kaiki , Sajiki Hironao , Akai Shuji , Sawama Yoshinari 
Published: April 2024

AbstractHydroquinones bearing an electron‐withdrawing group at the C2‐position can effectively underwent oxidative coupling with (hetero)arenes (e. g., indoles, electron‐rich benzene derivatives) in the presence of 2,3‐dichloro‐5,6‐dicyano‐p‐benzoquinone (DDQ) and FeCl3 to produce the corresponding biaryl products. In the present reactions, the DDQ‐mediated oxidation of hydroquinone derivatives produce benzoquinone intermediate, which subsequently underwent FeCl3‐catalyzed nucleophilic addition of (hetero)arenes to the α,β‐unsaturated carbonyl moiety to give the biaryl product in a one‐pot manner. Especially, the indole‐based biaryl products were further converted into tetracyclic aromatics through DDQ‐mediated oxidation followed by FeCl3‐catalyzed intramolecular cyclization. Thiophene derivatives were also applicable to give the tetracyclic aromatics. Moreover, the photophysical properties of the indole‐ and thiophene‐based tetracyclic aromatics in the solution and the solid states were investigated.
Hybrid Nickel‐Copper Oxide Nanoparticles: A Multiparametric Study for the Influence of Synthetic Parameters on the Optical and Physical Properties
Authors: Majid Mubashar , Usman Muhammad , Ibrar Sadaf , Ashfaq Husna , Awan Qasim Talib , Khan Asad Muhammad , Younas Farhan , Rab Abdur , Shaikh Ahson Jabbar 
Published: April 2024

AbstractThe hybrid nanoparticles of nickel and copper oxide are optimized by varying synthetic conditions such as precursor salt concentration, rate of reagent addition, pH, and temperature. The resulting nanoparticles are characterized by using UV‐Visible and fluorescence spectroscopy, hydrodynamic size, zeta potential, polydispersity index, SEM, EDX, XRD, and FTIR spectroscopy. The control over composition and physical properties of these hybrid oxides are analyzed through careful variations in the synthetic parameters. UV‐Vis analysis demonstrated the successful synthesis of NiO‐CuO hybrid nanoparticles at various concentrations. NiO dominant hybrids are obtained by quick addition of the reagent and at higher pH, while CuO dominant hybrids require slower addition of reagent and lower pH. The increase in the temperature causes a hypochromic shift in the UV‐Vis absorption, whereas fluorescence is enhanced with increase in the CuO concentration. The fluorescence generally remained stable by varying time of reagent addition, pH, and temperature. More stable and least‐sized NiO‐CuO hybrid nanoparticles are obtained at ratios of 75 : 25 and 25 : 75, by quick addition of reagent, at higher pH levels, and at higher temperatures. A better understanding of their physical and optical properties obtained by varying synthetic parameters may potentially result in their enhanced applications.
La‐Doped Mg‐Al Composite Oxides: Efficient Catalysts for the synthesis of Diethyl Carbonate via Transesterification of Ethylene Carbonate with Ethanol
Authors: Wang Hefang , Pan Yupeng , Jiang Hui , Wang Haimeng , Ma Xiaofei , Hao Shijiao , Liu Jingwei 
Published: April 2024

AbstractSeries of La‐doped Mg−Al composite oxides were prepared by co‐precipitation method and used as catalysts for the synthesis of diethyl carbonate (DEC) via transesterification of ethylene carbonate (EC) with ethanol (EtOH). SEM, XRD, FT‐IR and XPS results confirmed that the introduction of La enhanced the interaction with MgO. The 8 mol % La‐doped Mg−Al composite oxide (calcined catalyst named HTC‐0.8 La) produced strong interactions and improved lattice oxygen content (27.84 %). Based on the N2 adsorption‐desorption and CO2‐TPD results, the HTC‐0.8 La catalysts possessed abundant multistage mesoporous structure, high strong base density and strength (0.941 mmol ⋅ g−1). Therefore, the HTC‐0.8La catalyst exhibited high catalytic activity with 58.5 % yield of DEC and 94.7 % selectivity to DEC (EC: EtOH molar ratio=1 : 6, reaction time=1.5 h, reaction temperature=150 °C and catalyst amount=3.2 wt %). Based on the correlation between catalytic activity and alkalinity, the yield of DEC was positively and linearly related to the strong alkali density of the catalyst. After five replicate experiments, the DEC yield after recovery and roasting reached 54.1 %, indicating that HTC‐0.8La is a renewable heterogeneous catalyst.
Phase Engineered Composite Phase Change Materials for Thermal Energy Manipulation
Authors: Aftab Waseem , Shi Jinming , Jin Yongkang , Usman Ali , Qin Mulin , Ashraf Zubair , Shen Zhenghui , Zhong Ruiqin , Zou Ruqiang 
Published: April 2024

AbstractPhase change materials (PCMs) present a dual thermal management functionality through intrinsic thermal energy storage (TES) capabilities while maintaining a constant temperature. However, the practical application of PCMs encounters challenges, primarily stemming from their low thermal conductivity and shape‐stability issues. Despite significant progress in the development of solid–solid PCMs, which offer superior shape‐stability compared to their solid–liquid counterparts, they compromise TES capacity. Herein, a universal phase engineering strategy is introduced to address these challenges. The approach involves compositing solid–liquid PCM with a particulate‐based conductive matrix followed by surface reaction to form a solid–solid PCM shell, resulting in a core‐shell composite with enhanced thermal conductivity, high thermal storage capacity, and optimal shape‐stability. The core‐shell structure designed in this manner not only encapsulates the energy‐rich solid–liquid PCM core but also significantly enhances TES capacity by up to 52% compared to solid–solid PCM counterparts. The phase‐engineered high‐performance PCMs exhibit excellent thermal management capabilities by reducing battery cell temperature by 15 °C and demonstrating durable solar‐thermal‐electric power generation under cloudy or no sunshine conditions. This proposed strategy holds promise for extending to other functional PCMs, offering a compelling avenue for the development of high‐performance PCMs for thermal energy applications.
Phase Change Heterostructure Memory with Oxygen‐Doped Sb2Te3 Layers for Improved Durability and Reliability through Nano crystalline Island Formation
Authors: Kim Dong Hyun , Park Seung Woo , Choi Jun Young , Lee Ho Jin , Oh Jin Suk , Joo Jong Min , Kim Tae Geun 
Published: April 2024

AbstractPhase‐change random access memory represents a notable advancement in nonvolatile memory technology; however, it faces challenges in terms of thermal stability and reliability, hindering its broader application. To mitigate these issues, doping and structural modification techniques such as phase‐change heterostructures (PCH) are widely studied. Although doping typically enhances thermal stability, it can adversely affect the switching speed. Structural modifications such as PCH have struggled to sustain stable performance under high atmospheric conditions. In this study, these challenges are addressed by synergizing oxygen‐doped Sb2Te3 (OST) with PCH technology. This study presents a novel approach in which OST significantly improves the crystallization temperature, power efficiency, and cyclability. Subsequently, the integration of the PCH technology bolsters the switching speed and further amplifies the device's reliability and endurance by refining the grain size (≈7 nm). The resultant OST‐PCH devices exhibit exceptional performance metrics, including a drift coefficient of 0.003 in the RESET state, endurance of ≈4 × 108 cycles, an switching speed of 300 ns, and 67.6 pJ of RESET energy. These findings suggest that the OST‐PCH devices show promise for integration into embedded systems, such as those found in automotive applications and Internet of Things devices.
A 2.5 V In‐Plane Flexi‐Pseudocapacitor with Unprecedented Energy and Cycling Efficiency for All‐Weather Applications
Authors: Yadav Prahlad , Samanta Ketaki , Arya Vinay , Biswas Diptesh , Kim Hun‐Seong , Bakli Chirodeep , Jung Hyun Young , Ghosh Debasis 
Published: April 2024

AbstractAs electronic devices for aviation, space, and satellite applications become more sophisticated, built‐in energy storage devices also require a wider temperature spectrum. Herein, an all‐climate operational, energy and power‐dense, flexible, in‐plane symmetric pseudocapacitor is demonstrated with utmost operational safety and long cycle life. The device is constructed with interdigital‐patterned laser‐scribed carbon‐supported electrodeposited V5O12·6H2O as a binder‐free electrode and a novel high‐voltage anti‐freezing water‐in‐salt‐hybrid electrolyte. The anti‐freezing electrolyte can operate over a wide temperature range of −40–60 °C while offering a stable potential window of ≈2.5 V. The device undergoes rigorous testing under diverse environmental conditions, including rapid and regular temperature and mechanical transition over multiple cycles. Additionally, detailed theoretical simulation studies are performed to understand the interfacial interactions with the active material as well as the local behavior of the anti‐freeze electrolyte at different temperatures. As a result, the all‐weather pseudocapacitor at 1 A g−1 shows a high areal capacitance of 234.7 mF cm−2 at room temperature and maintains a high capacitance of 129.8 mF cm−2 even at −40 °C. Besides, the cell operates very reliably for over 80 950 cycles with a capacitance of 25.7 mF cm−2 at 10 A g−1 and exhibits excellent flexibility and bendability under different stress conditions.
Unique Hierarchically Structured High‐Entropy Alloys with Multiple Adsorption Sites for Rechargeable Li–CO2 Batteries with High Capacity
Authors: Yi Jiacheng , Deng Qinghua , Cheng Hui , Zhu Dandan , Zhang Kan , Yang Yong 
Published: April 2024

AbstractLithium–carbon dioxide (Li–CO2) batteries offer the possibility of synchronous implementation of carbon neutrality and the development of advanced energy storage devices. The exploration of low‐cost and efficient cathode catalysts is key to the improvement of Li–CO2 batteries. Herein, high‐entropy alloys (HEAs)@C hierarchical nanosheet is synthesized from the simulation of the recycling solution of waste batteries to construct a cathode for the first time. Owing to the excellent electrical conductivity of the carbon material, the unique high‐entropy effect of the HEAs, and the large number of catalytically active sites exposed by the hierarchical structure, the FeCoNiMnCuAl@C‐based battery exhibits a superior discharge capability of 27664 mAh g−1 and outstanding durability of 134 cycles as well as low overpotential with 1.05 V at a discharge/recharge rate of 100 mA g−1. The adsorption capacity of different sites on the HEAs is deeply understood through density functional theory calculations combined with experiments. This work opens up the application of HEAs in Li–CO2 batteries catalytic cathodes and provides unique insights into the study of adsorption active sites in HEAs.
A Noncentrosymmetric Metal‐Free Borophosphate: Achieving a Large Birefringence and Excellent Stability by Covalent‐Linkage
Authors: Zhang Hui‐Li , Jiao Dong‐Xue , Li Xiao‐Fei , He Chao , Dong Xi‐Ming , Huang Kai , Li Jin‐Hua , An Xing‐Tao , Wei Qi , Wang Guo‐Ming 
Published: April 2024

AbstractOrganic–inorganic hybrid linear and nonlinear optical (NLO) materials have received increasingly wide spread attention in recent years. Herein, the first hybrid noncentrosymmetric (NCS) borophosphate, (C5H6N)2B2O(HPO4)2 (4PBP), is rationally designed and synthesized by a covalent‐linkage strategy. 4‐pyridyl‐boronic acid (4 PB) is considered as a bifunctional unit, which may effectively improve the optical properties and stability of the resultant material. On the one hand, 4 PB units are covalently linked with PO3(OH) groups via strong B–O–P connections, which significantly enhances the thermal stability of 4PBP (decomposition at 321, vs lower 200 °C of most of hybrid materials). On the other hand, the planar π‐conjugated C5H6N units and their uniform layered arrangements represent large structural anisotropy and hyperpolarizability, achieving the largest birefringence (0.156 @ 546 nm) in the reported borophosphates and a second‐harmonic generation response (0.7 × KDP). 4PBP also exhibits a wide transparency range (0.27–1.50 µm). This work not only provides a promising birefringent material, but also offers a practical covalent‐attachment strategy for the rational design of new high‐performance optical materials.
Government + research + philanthropy: How cross‐sector partnerships can improve policy decisions and action
Authors: Owen Jenni 
Published: April 2024

AbstractResearchers often lament that government decision‐makers do not generate or use research evidence. People in government often lament that researchers are not responsive to government's needs. Yet there is increasing enthusiasm in government, research, and philanthropy sectors for developing, investing in, and sustaining government‐research partnerships that focus on government's use of evidence. There is, however, scant guidance about how to do so. To help fill the gap, this essay addresses (1) Why government‐research partnerships matter; (2) Barriers to developing government‐research partnerships; (3) Strategies for addressing the barriers; (4) The role of philanthropy in government‐research partnerships. The momentum to develop, invest in, and sustain cross‐sector partnerships that advance government's use of evidence is exciting. It is especially encouraging that there are feasible and actionable strategies for doing so.
Integrated Performance Assessments: Providing Equitable Instruction and Assessment for ELLs/MLLs
Authors: Oliver Gretchen P. , Gregory Karen M. 
Published: April 2024

AbstractIn this Teaching Issues article, we make the case for using Integrated Performance Assessments (IPAs) to get a better picture of ELLs/MLLs learning progress and language development and thus, contributing to more equitable learning environments in both instruction and assessment practices. An Integrated Performance Assessment allows learners to use the three modes of communication—interpretive, interpersonal, and presentational—to communicate their learning and demonstrate language development in an integrated way. We show how IPAs can be used as assessments for, of, and as learning; they promote more authentic teaching and assessment methods, in both formative and summative ways. To illustrate the potential opportunities IPAs can offer over traditional teaching and assessment methods, we share a classroom‐ready example designed by a teacher who participated in a 15‐month professional development project. We posit that IPAs value the resources ELLs/MLLs bring to the classroom and allow them to use these resources in their learning, as well as promote authentic language use and provide a window into ELLs’/MLLs’ progress in ways that advance their learning and language development through collaboration and interaction.
Judd‐Ofelt analysis and optical properties of Eu3+‐doped GdPO4 phosphors synthesized by combustion method
Authors: Hien Thai T. D. , Roan Pham D. , Minh Ngo K. K. , Do Phan V. , Thanh Nguyen T. , Huong Nguyen T. , Khuyen Hoang T. , Lien Pham T. , Tien Dinh M. , Tung Pham T. , Vu Nguyen 
Published: April 2024

AbstractThe Eu3+‐doped GdPO4 nanoparticles were prepared via a straightforward combustion method using urea as fuel and nitrates as a precursor. X‐ray powder diffraction patterns, infrared spectrum (IR), HR‐TEM, photoluminescence (PL), phonon sideband and photoluminescence excitation (PLE) were researched. There is a phase transition from the hexagonal phase into the monoclinic phase when the calcined temperature is over 700 °C. All of phosphors have similar morphology and the average diameters for nanoparticles are 20–30 nm. Under the excitation at 273 nm, GdPO4:Eu3+ powders showed red emission bands originating from the 5D0–7FJ (J = 1, 2, 3 and 4) transitions of Eu3+. The orange‐red emission (5D0–7F1 transition) is dominated because the Eu3+ ions exist with inversion symmetry in the lattice. The study suggests that the optimal Eu3+ ions concentration is 5 mol%. In addition, the second order crystal field parameter (B20) and the influence of concentration of Eu3+ ions on decay time are also mentioned, the intensity parameters (Ω2,4,6) and quantum efficiency were determined based on Judd‐Ofelt theory.