bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of Titanium Powder on Detonation Characteristics and Thermal Stability of RDX‐Based Composite Explosive
Authors: Huang Liangliang , Ma Honghao , Shen Zhaowu , Wang Yixin , Chen Jiping 
Published: February 2022

AbstractTitanium, reserved abundantly in the earth, is a kind of metal with high energy density. In this study, RDX‐based titanium powder composite explosive is advocated by adding titanium powder into the RDX explosive as a dual additive. There are several stages in the energy release of composite explosives, and the initial chemical energy used for the detonation velocity tends to decline with the growth of the content of titanium powder. In the experiments, the maximum energy density Eρ of composite explosives is obtained with 20 % titanium powder through underwater explosion experiments, and it is increased by 15.33 % at 0.8 m and 19.31 % at 1.2 m compared with the RDX explosive, respectively, where more power would be obtained in limited space. At the same time, the thermodynamic parameters and kinetic parameters of TG‐DSC curves of composite explosives are studied, and it is determined that titanium powder is an insensitive agent to endow the composite explosives with good thermal stability. What's more, the results of this study may also support the mechanics of the safety performance of high energy explosives. Thus, titanium powder can be used as a potential energetic additive that plays a dual role in improving detonation characteristics and thermal stability of RDX‐based composite explosive.
Dependence of the Elastic Stiffness Tensors of PETN, α‐RDX, γ‐RDX, ϵ‐RDX, ϵ‐CL‐20, DAAF, FOX‐7, and β‐HMX on Hydrostatic Compression
Authors: Cawkwell Marc J. , Zecevic Milovan , Luscher D. J. , Ramos Kyle J. 
Published: February 2022

AbstractThe dependence of the components of the elastic stiffness tensors (or elastic constants) of the organic explosives PETN, RDX, CL‐20, DAAF, FOX‐7, and HMX on hydrostatic pressure up to 10 GPa have been computed using dispersion‐corrected density functional theory. We report the evolution of lattice parameters and the non‐zero stiffnesses for the tetragonal, orthorhombic, and monoclinic crystal symmetries. Linear and quadratic dependencies of the components of the elastic stiffness tensors on volumetric compression and hydrostatic pressure are tabulated for use in single crystal plasticity models.
Effect of turmeric supplementation on the pharmacokinetics of paclitaxel in breast cancer patients: A study with population pharmacokinetics approach
Authors: Kalluru Hindu , Mallayasamy Surulivel Rajan , Kondaveeti Satish Srinivas , Chandrasekhar Vinodhini , Kalachaveedu Mangathayaru 
Published: February 2022

AbstractTurmeric is one of the most used herbal supplements among cancer patients. It reportedly modulates the function of CYP450 enzymes and drug transporters. This study investigates the effect of turmeric on the pharmacokinetics of paclitaxel in breast cancer patients. This is a prospective longitudinal study with 60 breast cancer patients on treatment with single‐agent paclitaxel and turmeric. The patients were followed up for two consecutive chemotherapy cycles, and their blood samples were collected, first without turmeric (first cycle) and the next after a 21‐day concomitant administration of 2 g/day turmeric (second cycle). Plasma samples were quantified for paclitaxel concentration using High Performance Liquid Chromatograph with UV detector (HPLC‐UV) method. The sparse concentration‐time data of paclitaxel were subjected to population pharmacokinetic modeling, and then noncompartmental analysis (NCA) was performed on the simulated data to estimate the pharmacokinetic parameters of paclitaxel, before and after turmeric supplementation, for comparisons. The population pharmacokinetic parameters of paclitaxel differed from before to after turmeric supplementation. NCA of simulated concentration‐time profiles showed a statistically significant reduction of 7.7% and 12.1% in AUCinf and Cmax, respectively. Given the small magnitude of the changes in pharmacokinetic parameters, the observed changes are not clinically relevant. Thereby, turmeric at the recommended dose can be combined safely with paclitaxel.
Effects of traditional field retting of hemp on soil organic carbon and the soil microbial community
Authors: Lucas Shawn T. , Silvernail Anthony F. , Lewis Michael D. 
Published: February 2022

AbstractRetting is a process used with bast fiber crops such as industrial hemp (Cannabis sativaL.) to expedite the separation of fibers from the woody core of the stalk. Field retting involves partial decomposition of stalks on the soil surface and is facilitated by soil microorganisms. Effects of field retting on soil C have not been studied, and little information is available on how field retting affects the soil microbial community. We conducted an experiment to investigate effects of field retting on total organic soil C (TOC), permanganate oxidizable soil C (POXC), and relative abundance of microbial fatty acid methyl ester biomarkers (FAMEs). Four treatments were imposed: (a) no retting (NR), (b) low‐density retting (LDR) (2,500 kg stalks ha–1), (c) high‐density retting (HDR) (5,000 kg stalks ha–1), and (d) control (CON). The NR, LDR, and HDR treatments were conducted on plots where hemp was grown, whereas the CON treatment excluded production and retting. Plots under HDR treatment generally had greater TOC and POXC than plots where no retting occurred. Analysis of FAMEs indicated that soil microbial communities were grouped according to retting treatments. Greater fungal abundance and higher fungi to bacteria ratios were associated with soils where retting occurred. Compared with retting methods where harvested stalks are immediately removed from the field, field retting may mitigate soil C losses associated with harvest and may be a useful component of maintaining soil health when used in concert with management practices that build soil C.
A Freundlich‐type multi‐component approach for modeling the sorption of nickel and phosphate in soil
Authors: Padilla Joshua T. , Gaston Lewis A. , Selim H. Magdi 
Published: February 2022

AbstractIn this study, the effect of phosphate on Ni sorption by Mahan soil was investigated. In batch experiments, an initial solution concentration of 1 mM phosphate increased Ni sorption by 15.1%, and initial concentrations of 1 mM Ni increased phosphate sorption by 12.8%. The effect of phosphate on Ni sorption, and vice versa, was dependent on initial concentrations of either solute, with greater effects being observed with greater initial concentrations. Sequential extractions suggest that the increased sorption of either species in the presence of the other is due to a combination of electrostatic interactions and the formation of ternary complexes. A novel Freundlich‐type multi‐component isotherm (FMC) was developed and described the sorption of Ni both in the absence and presence of phosphate with a single set of parameters. The effect of phosphate on the sorption kinetics of Ni was evaluated using the stirred‐flow approach. The presence of phosphate increased the maximum sorbed concentration of Ni by 7.3% and increased the rate of Ni sorption. A novel Freundlich‐type multi‐component kinetic model (FKM) was developed and described the stirred‐flow data well. The FKM was able to describe the sorption‐desorption of both Ni and phosphate applied individually as well as simultaneously. The FMC and FKM offer advantages over previous modeling approaches in that they require far fewer parameters than surface complexation models and have greater descriptive capabilities than traditional empirical models. However, both models are empirical, and their ability to describe the observed data should not be taken to imply specific molecular‐level mechanisms.
MXene‐Supported, Atomic‐Layered Iridium Catalysts Created by Nanoparticle Re‐Dispersion for Efficient Alkaline Hydrogen Evolution
Authors: Dai Linxiu , Shen Yiheng , Chen Johnny Zhu , Zhou Lin , Wu Xun , Li Zhe , Wang Jiayang , Huang Wenyu , Miller Jeffrey T. , Wang Qian , Cao Anyuan , Wu Yue 
Published: February 2022

AbstractTailoring the structure of metal components and interaction with their anchored substrates is essential for improving the catalytic performance of supported metal catalysts; the ideal catalytic configuration, especially down to the range of atomic layers, clusters, and even single atoms, remains a subject under intensive study. Here, an Ir‐on‐MXene (Mo2TiC2Tx) catalyst with controlled morphology changing from nanoparticles down to flattened atomic layers, and finally ultrathin layers and single atoms dispersed on MXene nanosheets at elevated temperature, is presented. The intermediate structure, consisting of mostly Ir atomic layers, shows the highest activity toward the hydrogen evolution reaction (HER) under industry‐compatible alkaline conditions. In addition, the better HER activity of Ir atomic layers than that of single atoms suggests that the former serves as the main active sites. Detailed mechanism analysis reveals that the nanoparticle re‐dispersion process and Ir atomic layers with a moderate interaction to the substrate associate with unconventional electron transfer from MXene to Ir, leading to suitable H* adsorption. The results indicate that the structural design is important for the development of highly efficient catalysts.
Synergistic Silencing of Skp2 by siRNA Self‐Assembled Nanoparticles as a Therapeutic Strategy for Advanced Prostate Cancer
Authors: Liang Hong , Zhang Fangming , Hong Yannv , Wu Yue , Xie Huanzhang , Zhang Chen , Wang Zonghua , Lu Zhonglei , Yang Huanghao 
Published: February 2022

AbstractAdvanced prostate cancer, harboring multiple mutations of tumor suppressor genes, is refractory to conventional therapies. Knockout of the Skp2 gene blocks pRb/p53 doubly deficient prostate cancer in mice, which inspired the authors to develop an approach for delivering siRNA that would efficiently silence Skp2 (siSkp2) in vivo. Here, a facile strategy is reported to directly assemble siSkp2 with the natural compound quercetin (Que) into supramolecular nanoparticles (NPs). This carrier‐free siSkp2 delivery system could effectively protect siSkp2 from degradation in serum and enhance its cellular internalization. Furthermore, the siSkp2/Que NPs exhibit synergistic effects in Skp2 silencing, because they can degrade the mRNA and protein of Skp2 simultaneously. Indeed, siSkp2/Que NPs remarkably diminish the Skp2 abundance and further inhibit the proliferation and migration of TMU cells (RB1/TP53/KRAS triple mutations) in vitro. The in vivo results further show that i.v. administration of siSkp2/Que NPs efficiently accumulates in tumor sites and strongly inhibits the growth of TMU tumors in nude mice. Importantly, the siSkp2/Que NPs do not induce any abnormality in the treated mice, which suggests satisfactory biocompatibility. Collectively, this study describes a tractable siRNA self‐assembled strategy for Skp2 silencing, which might be a promising nanodrug to cure multitherapy‐resistant advanced prostate cancer.
Protein Mediated Enzyme Immobilization
Authors: Caparco Adam A. , Dautel Dylan R. , Champion Julie A. 
Published: February 2022

AbstractEnzyme immobilization is an essential technology for commercializing biocatalysis. It imparts stability, recoverability, and other valuable features that improve the effectiveness of biocatalysts. While many avenues to join an enzyme to solid phases exist, protein‐mediated immobilization is rapidly developing and has many advantages. Protein‐mediated immobilization allows for the binding interaction to be genetically coded, can be used to create artificial multienzyme cascades, and enables modular designs that expand the variety of enzymes immobilized. By designing around binding interactions between protein domains, they can be integrated into functional materials for protein immobilization. These materials are framed within the context of biocatalytic performance, immobilization efficiency, and stability of the materials. In this review, supports composed entirely of protein are discussed first, with systems such as cellulosomes and protein cages being discussed alongside newer technologies like spore‐based biocatalysts and forizymes. Protein‐composite materials such as polymersomes and protein–inorganic supraparticles are then discussed to demonstrate how protein‐mediated strategies are applied to many classes of solid materials. Critical analysis and future directions of protein‐based immobilization are then discussed, with a particular focus on both computational and design strategies to advance this area of research and make it more broadly applicable to many classes of enzymes.
Construction of Fe‐doped NiS–NiS2 Heterostructured Microspheres Via Etching Prussian Blue Analogues for Efficient Water‐Urea Splitting
Authors: Huang Shoushuang , Zhang Qian , Xin Peijun , Zhang Jie , Chen Qiaochuan , Fu Jie , Jin Zhiqiang , Wang Qing , Hu Zhangjun 
Published: February 2022

AbstractDeveloping efficient and robust non‐precious‐metal‐based catalysts to accelerate electrocatalytic reaction kinetics is crucial for electrochemical water‐urea splitting. Herein, Fe‐doped NiS–NiS2 heterostructured microspheres, an electrocatalyst, are synthesized via etching Prussian blue analogues following a controlled annealing treatment. The resulting microspheres are constructed by mesoporous nanoplates, granting the virtues of large surface areas, high structural void porosity, and accessible inner surface. These advantages not only provide more redox reaction centers but also strengthen structural robustness and effectively facilitate the mass diffusion and charge transport. Density functional theory simulations validate that the Fe‐doping improves the conductivity of nickel sulfides, whereas the NiS–NiS2 heterojunctions induce interface charge rearrangement for optimizing the adsorption free energy of intermediates, resulting in a low overpotential and high electrocatalytic activity. Specifically, an ultralow overpotential of 270 mV at 50 mA cm−2 for the oxygen evolution reaction (OER) is achieved. After adding 0.33 M urea into 1 M KOH, Fe‐doped NiS–NiS2 obtains a strikingly reduced urea oxidation reaction potential of 1.36 V to reach 50 mA cm−2, around 140 mV less than OER. This work provides insights into the synergistic modulation of electrocatalytic activity of non‐noble catalysts for applications in energy conversion systems.
Solid‐State Electrolytes for Rechargeable Magnesium‐Ion Batteries: From Structure to Mechanism
Authors: Guo Miao , Yuan Chongyang , Zhang Tengfei , Yu Xuebin 
Published: February 2022

AbstractRechargeable magnesium (Mg)‐ion batteries have received growing attention as a next‐generation battery system owing to their advantages of sufficient reserves, lower cost, better safety, and higher volumetric energy density than lithium‐ion batteries. However, Mg as an anode can be easily passivated during charging/discharging by most common solvents, which are inconducive for magnesium deposition/stripping. Based on this, the development of Mg‐ion solid‐state electrolytes in the last decades led to the formulization of several concepts beyond previously reported designs. These exciting studies have once again sparked an interest in all‐solid‐state magnesium‐ion batteries. In this review, Mg solid‐state electrolytes, including inorganic (oxides, hydrides, and chalcogenides) and organic (metal‐organic frameworks and polymers) materials are classified and summarized in detail. Moreover, the structural characteristics and the migration mechanism of Mg2+ ions are also discussed with a focus on pending questions and future prospects.
Low‐Temperature Exsolution of Ni–Ru Bimetallic Nanoparticles from A‐Site Deficient Double Perovskites
Authors: Guo Jia , Cai Rongsheng , Cali Eleonora , Wilson George E. , Kerherve Gwilherm , Haigh Sarah J. , Skinner Stephen J. 
Published: February 2022

AbstractExsolution of stable metallic nanoparticles for use as efficient electrocatalysts has been of increasing interest for a range of energy technologies. Typically, exsolved nanoparticles show higher thermal and coarsening stability compared to conventionally deposited catalysts. Here, A‐site deficient double perovskite oxides, La2‐xNiRuO6‐δ (x = 0.1 and 0.15), are designed and subjected to low‐temperature reduction leading to exsolution. The reduced double perovskite materials are shown to exsolve nanoparticles of 2–6 nm diameter during the reduction in the low‐temperature range of 350–450 °C. The nanoparticle sizes are found to increase after reduction at the higher temperature (450 °C), suggesting diffusion‐limited particle growth. Interestingly, both nickel and ruthenium are co‐exsolved during the reduction process. The formation of bimetallic nanoparticles at such low temperatures is rare. From the in situ impedance spectroscopy measurements of the double perovskite electrode layers, the onset of the exsolution process is found to be within the first few minutes of the reduction reaction. In addition, the area‐specific resistance of the electrode layers is found to decrease by 90% from 291 to 29 Ω cm2, suggesting encouraging prospects for these low‐temperature rapidly exsolved Ni/Ru alloy nanoparticles in a range of catalytic applications.
Assessing Long‐Term Cycling Stability of Single‐Crystal Versus Polycrystalline Nickel‐Rich NCM in Pouch Cells with 6 mAh cm−2 Electrodes
Authors: Zhao Wengao , Zou Lianfeng , Zhang Leiting , Fan Xinming , Zhang Hehe , Pagani Francesco , Brack Enzo , Seidl Lukas , Ou Xing , Egorov Konstantin , Guo Xueyi , Hu Guorong , Trabesinger Sigita , Wang Chongmin , Battaglia Corsin 
Published: February 2022

AbstractLithium‐ion batteries based on single‐crystal LiNi1−x−yCoxMnyO2 (NCM, 1−x−y ≥ 0.6) cathode materials are gaining increasing attention due to their improved structural stability resulting in superior cycle life compared to batteries based on polycrystalline NCM. However, an in‐depth understanding of the less pronounced degradation mechanism of single‐crystal NCM is still lacking. Here, a detailed postmortem study is presented, comparing pouch cells with single‐crystal versus polycrystalline LiNi0.60Co0.20Mn0.20O2 (NCM622) cathodes after 1375 dis‐/charge cycles against graphite anodes. The thickness of the cation‐disordered layer forming in the near‐surface region of the cathode particles does not differ significantly between single‐crystal and polycrystalline particles, while cracking is pronounced for polycrystalline particles, but practically absent for single‐crystal particles. Transition metal dissolution as quantified by time‐of‐flight mass spectrometry on the surface of the cycled graphite anode is much reduced for single‐crystal NCM622. Similarly, CO2 gas evolution during the first two cycles as quantified by electrochemical mass spectrometry is much reduced for single‐crystal NCM622. Benefitting from these advantages, graphite/single‐crystal NMC622 pouch cells are demonstrated with a cathode areal capacity of 6 mAh cm−2 with an excellent capacity retention of 83% after 3000 cycles to 4.2 V, emphasizing the potential of single‐crystalline NCM622 as cathode material for next‐generation lithium‐ion batteries.
Ion‐Selective Organic Electrochemical Transistors: Recent Progress and Challenges
Authors: Li Yang , Cui Binbin , Zhang Shiming , Li Bingxiang , Li Jianmin , Liu Shujuan , Zhao Qiang 
Published: February 2022

AbstractThe charged species inside biofluids (blood, interstitial fluid, sweat, saliva, urine, etc.) can reflect the human body's physiological conditions and thus be adopted to diagnose various diseases early. Among all personalized health management applications, ion‐selective organic electrochemical transistors (IS‐OECTs) have shown tremendous potential in point‐of‐care testing of biofluids due to low cost, ease of fabrication, high signal amplification, and low detection limit. Moreover, IS‐OECTs exhibit excellent flexibility and biocompatibility that enable their application in wearable bioelectronics for continuous health monitoring. In this review, the working principle of IS‐OECTs and the recent studies of IS‐OECTs for performance improvement are reviewed. Specifically, contemporary studies on material design and device optimization to enhance the sensitivity of IS‐OECTs are discussed. In addition, the progress toward the commercialization of IS‐OECTs is highlighted, and the recently proposed solutions or alternatives are summarized. The main challenges and perspectives for fully exploiting IS‐OECTs toward future preventive and personal medical devices are addressed.
A Low‐Voltage Layered Na2TiGeO5 Anode for Lithium‐Ion Battery
Authors: Liu Zhiwei , He Di , Wang Boya , Wu Tianhao , Zhao Shu , Li Xunlu , He Shiman , Liang Yuan , Zhou Yongning , Sun Shuhui , Yu Haijun 
Published: February 2022

AbstractTitanium‐based anode materials have achieved much progress with the wide studies in lithium‐ion batteries. However, these known materials usually possess high discharge voltage platforms and limited energy densities. Herein, a titanium‐based oxide of Na2TiGeO5 with layered structure, two‐dimensional lamellar frame and exposed highly active (001) facet, exhibiting good electrochemical performance in terms of high capacity (410 mAh g–1 with a current density of 50 mA g–1), excellent rate capability and cycling stability with no obvious capacity attenuation after 4000 cycles, is reported. The appropriate discharge voltage plateau at around 0.2 V endows the Na2TiGeO5 anode material high security compared with graphite and high energy density compared with spinel Li4Ti5O12. Combining the electrochemical tests and the density functional theory calculations, the Li+ storage mechanism of Na2TiGeO5 is elucidated and the conversion reaction process is revealed. More importantly, this study provides a way to develop low‐voltage and high‐capacity titanium‐based anode materials for efficient energy storage.
Inorganic Electrolyte for Low‐Temperature Aqueous Sodium Ion Batteries
Authors: Zhu Kunjie , Li Zhaopeng , Sun Zhiqin , Liu Pei , Jin Ting , Chen Xuchun , Li Haixia , Lu Wenbo , Jiao Lifang 
Published: February 2022

AbstractAqueous sodium ion batteries have received widespread attention due to their great application potential and high safety. However, the serious capacity fading under low temperature dramatically restricts their practical application. Compared to flammable and toxic organic antifreezing additives, addition of common cheap inorganic inert additives to improve low‐temperature performance is of interest scientifically. Herein, low‐cost calcium chloride is served as antifreezing additive in 1 m NaClO4 aqueous electrolyte due to its strong interaction with water molecules. The freezing point of the optimized electrolyte is significantly reduced to below −50 °C with an ultrahigh ionic conductivity (7.13 mS cm−1) at −50 °C. All pure inorganic composition of the full battery delivers a high capacity of 74.5 mAh g−1 under 1 C (1 C = 150 mA g−1) at −30 °C. More importantly, when tested under 10 C at −30 °C, the battery can achieve an ultralong cycling stability of 6000 cycles with no obvious capacity decay, indicating fast Na+ transport under low temperature. Significantly, this work provides an easy‐to‐operate strategy by adding cheap inorganic salt to develop high‐performance low‐temperature aqueous batteries.