bluuebunny/crossref_metadata_2025_split huggingface dataset:
Representation of live‐fire energetic residues from insensitive mortar munitions using command‐detonation testing
Authors: Beal Samuel A. , Bigl Matthew F. , Ramsey Charles A. , Kadoya Warren M. , Gelvin Art , Liddle Broberg Kate 
Published: November 2023

AbstractCommand (i. e., static) detonation is critical for testing munitions early in the acquisition process, however its representation of energetic residues produced during live fire has not yet been assessed. Here we measured energetic residue deposition rates on snow from live fire of 60 mm and 81 mm IMX‐104 mortar munitions and then compared results with previous command‐detonation tests of the same munitions. Mean live‐fire deposition rates of IMX‐104 compounds were: 3800 mg NTO, 34 mg DNAN, 12 mg RDX, and 1.9 mg HMX per 60 mm cartridge (n=9); and 8000 mg NTO, 60 mg DNAN, 20 mg RDX, and 2 mg HMX per 81 mm cartridge (n=13). The predominant residue compound NTO was accurately estimated by command detonation for the 60 mm munition (p=0.92) but was significantly underestimated for the 81 mm munition (p<0.0001). The minor residues of DNAN and RDX were relatively well estimated by command detonation for the 81 mm munition (p=0.07 and p=0.014, respectively), but both were significantly underestimated (p<0.0001) for the 60 mm munition. Despite some of these differences, the ability demonstrated here for command detonation to predict live‐fire residue deposition rates to the correct order‐of‐magnitude supports its utility in assessing environmental impact.
Conditional power and information fraction calculations at an interim analysis for random coefficient models
Authors: Lewis Sandra A. , Carroll Kevin J. , DeVries Todd , Barratt Jonathan 
Published: November 2023

AbstractRandom coefficient (RC) models are commonly used in clinical trials to estimate the rate of change over time in longitudinal data. Trials utilizing a surrogate endpoint for accelerated approval with a confirmatory longitudinal endpoint to show clinical benefit is a strategy implemented across various therapeutic areas, including immunoglobulin A nephropathy. Understanding conditional power (CP) and information fraction calculations of RC models may help in the design of clinical trials as well as provide support for the confirmatory endpoint at the time of accelerated approval. This paper provides calculation methods, with practical examples, for determining CP at an interim analysis for a RC model with longitudinal data, such as estimated glomerular filtration rate (eGFR) assessments to measure rate of change in eGFR slope.
Drug co‐administration in anesthesia using event‐based MPC
Authors: Pawłowski Andrzej , Schiavo Michele , Latronico Nicola , Paltenghi Massimiliano , Visioli Antonio 
Published: November 2023

AbstractIn this article, a predictive event‐based control architecture for multivariable drug infusion in the anesthesia process is presented. The control scheme considers a multiple‐input single‐output process, where the depth of hypnosis is the controlled variable and the infusion rates of propofol and remifentanil, which are co‐administered by imposing a fixed ratio between them, are the control variables. The control system is built on the top of a nonlinear pharmacokinetic/pharmacodynamic model for drug co‐administration that reflects the super‐additive effect of both drugs on the bispectral index scale (BIS), which is a measure of the hypnotic state of the patient. Further, in order to compensate the nonlinear behavior of the system, it exploits an external predictor that is designed to increase the robustness to inter‐/intra‐patient variability. The overall controller parameters are tuned by applying an optimization method on a representative set of virtual patients. The main feature of the proposed control algorithm consists in its asynchronous execution, which can be beneficial in reducing control signal changes due to the noisy measurements of the BIS. The evaluation of the analyzed control architecture through a simulation study reveals that control action variations can be reduced by about 48% on average with respect to its time‐based counterpart. This reduction is obtained at the expense of a lower control accuracy, resulting in a degradation of 18% in terms of integrated absolute error. Results are acceptable from a clinical practice perspective proving that the proposed approach is a feasible alternative to classical time‐based predictive controllers.
Visualizing Fingerprints on Porous Objects by an Optical Sensor Minimally Destructive to DNA Based on Aggregation‐Induced Emission
Authors: Liang Muwen , Hu Wei , Zhao Yabin , Luo Yaping 
Published: November 2023

AbstractDevelopment of latent fingerprints (LFPs) at the scene played the important role in forensic investigations by reconstructing crime trajectory and individualizing suspect. In this work, the optical sensor named TPE‐LL with aggregation‐induced emission property was constructed and used in LFPs visualization. The sensor exhibited a satisfactory linear relationship to tryptophan (Trp) in the range of 1–20 nM with the low detection limit of 0.15 nM. The samples were collected from 60 volunteers, with a total of 7200 impressed samples and 160 natural samples. Significantly, the high‐resolution fingerprints images with high fidelity and contrast containing pore features were obtained from impressed samples left on porous object for 15 days. Meanwhile, the relative complete STR typing profiles of deposited DNA were obtained and the identification rate of DNA after the develop process was 76.5 %, suggesting that the method was low destructive to DNA. The results indicated that the sensor provided promising perspectives on solving the current technical problems in the field of forensic science and technology
Biomineralization and mechanical studies of sodium substituted hydroxyapatite by a time‐saving combustion route
Authors: Joseph Sherlin , Genasan Krishnamurithy , Anjaneyalu U. , Livingston Abel , Samuel Sumant , Sasikumar S. 
Published: November 2023

AbstractThe poor biomechanical properties of hydroxyapatite are the major demerits that limit its application in bone tissue engineering to repair critical bone defects. The current study aims to prepare sodium‐substituted Hap samples by using a time‐saving combustion route. Both 5 %Na‐Hap and 10 %Na‐Hap scaffolds together with Hap was analysed by XRD, FTIR, and SEM/EDAX for characterization. Moreover, the influence of sodium substitution on biomineralization, mechanical stability and MG63 cell cytotoxicity was also studied. XRD pattern shows up to 10 mol% of sodium was substituted in the Hap powder without any collapse in its crystal structure. The structural morphology of the Na‐Hap powder was studied using SEM/EDAX. After immersion of Pellets in SBF, the compressive strengths of 5 % Na‐ Hap and 10 % Na‐ Hap were found to be 116 MPa and 98 MPa after the day 9, respectively. The half maximal inhibitory concentration of pure Hap, 5 % Na‐Hap & 10 % Na‐Hap was 59.6, 41.9 and 37.7 μg/ml, respectively. In conclusion, mechanical stability and apatite deposition properties of sodium substituted Hap show significant improvement compared to Pure Hap, and by comparing two different concentrations of sodium substituted Hap, 5 % Na‐Hap shows better apatite deposition and mechanical strength compared to 10 % Na‐Hap.
Highlighting the Underrated Side of the High Profile Nitroso Entity as a Nucleophile
Authors: Pairas George N. , Tsoungas Petros G. 
Published: November 2023

AbstractThe Nitroso entity, in its long history, has seen diverse applications in Chemistry, Biology and Medicine. In numerous chemical reactions it has been considered mainly as an electrophile. Its less radiant side, that of a nucleophile, has attracted limited attention. Discernible cases of its nucleophilic character and its potential are highlighted herein.
Preparation and Physicochemical Properties of Organic Semiconducting Materials from the Reaction of Imidazo[1,2‐a]pyridines with Tetracyanoethylene
Authors: Mathur Chandani , Gupta Raakhi , Bansal Raj K. , Swami Sonia , Sheoran Ankita , Salunke Deepak B. 
Published: November 2023

AbstractOrganic donor‐acceptor (DA) complexes have emerged in recent years as materials of choice for organic binary electronics. The reactivity descriptors derived from the conceptual DFT reveal imidazo[1,2‐a]pyridines as potential donors. Thus, four imidazo[1,2‐a]pyridines were reacted with tetracyanoethylene (TCNE) in 1 : 2 molar ratio to afford four new DA complexes. The spectral studies, namely IR, 1H, 13C, DEPT 135, 2D HMQC NMR, and HRMS were used to establish structures of the products. The UV‐vis. spectroscopy reveals intramolecular charge transfer. All the four compounds fluoresce giving excitation emission fluorescence spectra with a red shift ranging from 64 to 151 nm and quantum yields from 0.004 to 16.35. Unexpectedly, nitro group in one of the products does not act as quencher; instead, it enhances the quantum yield to make it highest in this series. The products exhibit electrical conductivity which increases with temperature. The FESEM and HRTEM images reveal distinct and homogenous surface morphology with holes which facilitate flow of electrons as manifested by electrical conductivity. The powder XRD and SAED results establish the polycrystalline nature of the products. The theoretical studies indicate an alternate donor acceptor stacking pattern.
Molecular‐Level Insight into Impact of Additives on Film Formation and Molecular Packing in Y6‐based Organic Solar Cells
Authors: Mei Le , Xia Xinxin , Sun Rui , Pan Yuyu , Min Jie , Lu Xinhui , Jen Alex K.‐Y. , Chen Xian‐Kai 
Published: November 2023

AbstractAdditive engineering is widely utilized to optimize film morphology in active layers of organic solar cells (OSCs). However, the role of additive in film formation and adjustment of film morphology remains unclear at the molecular level. Here, taking high‐efficiency Y6‐based OSC films as an example, this work thus employs all‐atom molecular‐dynamics simulations to investigate how introduction of additives with different π‐conjugation degree thermodynamically and dynamically impacts nanoscale molecular packings. These results demonstrate that the van der Waals (vdW) interactions of the Y6 end groups with the studied additives are strongest. The larger the π‐conjugation degree of the additive molecules, the stronger the vdW interactions between additive and Y6 molecules. Due to such vdW interactions, the π‐conjugated additive molecules insert into the neighboring Y6 molecules, thus opening more space for relaxation of Y6 molecules to trigger more ordered packing. Increasing the interactions between the Y6 end groups and the additive molecules not only accelerates formation of the Y6 ordered packing, but also induces shorter Y6‐intermolecular distances. This work reveals the fundamental molecular‐level mechanism behind film formation and adjustment of film morphology via additive engineering, providing an insight into molecular design of additives toward optimizing morphologies of organic semiconductor films.
Fabrication of Ultrafine Cu2O Nanoparticles on W18O49 Ultra‐Thin Nanowires by In‐Situ Reduction for Highly Efficient Photocatalytic Nitrogen Fixation
Authors: Cui Donghui , Wang Shiyu , Yang Xue , Xu Lin , Li Fengyan 
Published: November 2023

AbstractPhotocatalytic ammonia synthesis technology is one of the important methods to achieve green ammonia synthesis. Herein, two samples of Cu ion‐doped W18O49 with different morphologies, ultra‐thin nanowires (Cu‐W18O49‐x UTNW) and sea urchin‐like microspheres (Cu‐W18O49‐x SUMS), are synthesized by a simple solvothermal method. Subsequently, Cu2O‐W18O49‐x UTNW/SUMS is synthesized by in situ reduction, where the NH3 production rate of Cu2O‐W18O49‐30 UTNW is 252.4 µmol g−1 h−1 without sacrificial reagents, which is 11.8 times higher than that of the pristine W18O49 UTNW. The Cu2O‐W18O49‐30 UTNW sample is rich in oxygen vacancies, which promotes the chemisorption and activation of N2 molecules and makes the N≡N bond easier to dissociate by proton coupling. In addition, the in situ reduction‐generated Cu2O nanoparticles exhibit ideal S‐scheme heterojunctions with W18O49 UTNW, which enhances the internal electric field strength and improves the separation and transfer efficiency of the photogenerated carriers. Therefore, this study provides a new idea for the design of efficient nitrogen fixation photocatalysis.
Fluorescent Conversion Agent Embedded in Zinc Oxide as an Electron‐Transporting Layer for High‐Performance Non‐Fullerene Organic Solar Cells with Improved Photostability
Authors: Chen Jinxiang , Zhang Guichuan , Chen Zhen , Xiao Jingyang , Xia Tian , Li Xin , Yip Hin‐Lap 
Published: November 2023

AbstractZinc oxide (ZnO) is widely used as an electron transporting layer (ETL) for organic solar cells (OSCs). Here, a low‐cost commercial water/alcohol‐soluble fluorescent conversion agent, sodium 2,2′‐([1,1′‐biphenyl]−4,4′‐diyldivinylene)‐bis(benzenesulfonate) (CBS), is incorporated into ZnO to develop a novel organic‐inorganic hybrid ETL for high‐performance OSCs. The photoinduced charge transfer from CBS to ZnO significantly improves the charge transport properties of ZnO, resulting in faster electron extraction and reduced charge recombination in OSC devices with ZnO:CBS ETLs. ZnO:CBS‐based devices exhibit higher power conversion efficiencies (PCEs) than their pure ZnO‐based counterparts, especially in devices with a thicker ETL, which is more suitable for roll‐to‐roll and large‐area module processing. Furthermore, the strong ultraviolet‐light absorption capability of CBS inhibits the photodegradation of the active layer, improving the photostability of ZnO:CBS based OSC devices. Therefore, this work provides a simple and effective strategy for realizing high‐performance OSCs with high PCE and good photostability, which can further facilitate the commercialization of OSCs.
Assembling 99% MOFs into Bioinspired Rigid‐Flexible Coupled Membrane with Significant Permeability: The Impacts of Defects
Authors: Fei Lingya , Shen Liguo , Chen Cheng , Xu Jiujing , Wang Boya , Li Bisheng , Lin Hongjun 
Published: November 2023

AbstractAssembling metal‐organic frameworks (MOFs) into high‐performance macroscopic membranes is crucial but still challenging. MOF‐containing hybrid membranes can effectively integrate the advantages of flexible guest materials and MOFs. Nevertheless, the inherent limitations in fully harnessing the distinct characteristics of MOFs persist due to the substantial guest material content necessitated in membrane fabrication. Herein, inspired by the rigid and flexible structures in biological systems, rigid MIP‐202(Zr) and defective MIP‐202(Zr) (D‐MIP‐202(Zr)) modified flexible graphene oxide (GO) sheets are synthesized in situ and then assembled into a rigid‐flexible coupled MOF‐based membrane. The defects in D‐MIP‐202(Zr) are introduced by using acetic acid as the modulation agent. The obtained GO@MIP‐202(Zr) membrane possesses a hierarchical porous structure with a 99 wt% MOF proportion, which is higher than the GO@D‐MIP‐202(Zr) (75 wt%) membrane with a compact bulge‐structured surface. The water permeability of the GO@MIP‐202(Zr) membrane attains remarkedly 5762.92 L h−1 m−2 bar−1, which is 960 and 2.6 times higher than that of the GO membrane and GO@D‐MIP‐202(Zr) membrane. Additionally, benefiting from the superhydrophilicity and underwater superoleophobicity, the resultant membrane not only demonstrates high rejection for oil‐water emulsions but also exhibits exceptional recyclability and anti‐fouling ability. These findings provide valuable insights into the assembly of MOFs into high‐performance membranes.
Al8 Cluster‐Based Metal Halide Frameworks: Balancing Singlet−Triplet Excited States to Achieve White Light and Multicolor Luminescence
Authors: Lv Wei , Ma Yu‐Juan , Wang A‐Ni , Mu Ying , Niu Shu‐Wen , Wei Li , Dong Wen‐Long , Ding Xue‐Yao , Qiang Yu‐Bin , Li Xiao‐Yu , Wang Guo‐Ming 
Published: November 2023

AbstractLuminescent metal clusters have attracted great interest in current research; however, the design synthesis of Al clusters with color‐tunable luminescence remains challenging. Herein, an [Al8(OH)8(NA)16] (Al8, HNA = nicotinic acid) molecular cluster with dual luminescence properties of fluorescence and room‐temperature phosphorescence (RTP) is synthesized by choosing HNA ligand as phosphor. Its prompt photoluminescence (PL) spectrum exhibits approximately white light emission at room temperature. Considering that halogen atoms can be used to regulate the RTP property by balancing the singlet and triplet excitons, different CdX2 (X− = Cl−, Br−, I−) are introduced into the reactive system of the Al8 cluster, and three new Al8 cluster‐based metal‐organic frameworks, {[Al8Cd3Cl5(OH)8(NA)17H2O]·2HNA}n (CdCl2‐Al8), {[Al8Cd4Br7(OH)8(NA)16CH3CN]·NA·HNA}n (CdBr2‐Al8) and {[Al8Cd8I16(OH)8(NA)16]}n (CdI2‐Al8) are successfully obtained. They realize the color tunability from blue to yellow at room temperature. The origination of fluorescence and phosphorescence has also been illustrated by structure‐property analysis and theoretical calculation. This work provides new insights into the design of multicolor luminescent metal cluster‐based materials and develops advanced photo‐functional materials for multicolor display, anti‐counterfeiting, and encryption applications.
Occurrence, fate, and ecological risk assessment of bisphenol A, butylparaben, and diethyl‐phthalate in collection systems and the wastewater treatment plant of the urban area
Authors: Puri Mehak , Gandhi Kavita , Kashyap Sanjay M. , Kumar M. Suresh 
Published: November 2023

AbstractIn the present work, wastewater treatment plants and collection systems from Nagpur, Central India were studied for frequently occurring endocrine disrupting chemicals. All the EDCs, such as bisphenol A, butylparaben, and diethyl phthalate were present in all the collected samples with a detection frequency of 100%. Laboratory analysis revealed high bisphenol A, butylparaben, and diethyl phthalate levels, with mean concentrations of 79.10, 4.12, and 2.25 μg/L, respectively, in influent samples and 33.20, 1.62, and 0.77 μg/L, respectively, in the effluent wastewater. The distribution of the emergent pollutants among the sampling locations was found to be consistent with the physicochemical characteristics of wastewater, according to the component analysis, and the sites with the highest levels of contamination were also identified. Finally, an ecological risk assessment was carried out for aquatic biota in terms of risk quotients. The risk quotients for the target chemicals in effluent wastewater suggested a minimal impact, except for the target insect Chrironomus riparius, which had a risk quotient value of 33.20 for bisphenol A.
Bringing Order to the Literacy Development of Black Boys in the Elementary Grades
Authors: Tatum Alfred W. 
Published: November 2023

AbstractDiscussions and practices focused on Black boys' literacy development and equity in U.S. classrooms require serious thought and interrogation if the aim is to move these boys toward advanced levels of reading, writing, intellectual development, and human development. Sorely, Black boys have become subjects of educational, programming, and policy experimentation endorsed by school boards that lead to instructional and curricular shortcomings in elementary classrooms. In this article, I call for a need to bring order to the literacy development of Black boys in the elementary grades by focusing on advanced literacy outcomes and the intellectual tradition. Order is needed to counter the random nature of literacy development that results in chaos and disorder as evidenced by reading outcomes and many Black boys, both high‐academically performing and low‐academically performing, being underserved in U.S. classrooms.
Rationalizing a prospective coupling effect of cannabinoids with the current pharmacotherapy for melanoma treatment
Authors: Bachari Ava , Nassar Nazim , Schanknecht Ellen , Telukutla Srinivasareddy , Piva Terrence Jerald , Mantri Nitin 
Published: November 2023

AbstractMelanoma is one of the leading fatal forms of cancer, yet from a treatment perspective, we have minimal control over its reoccurrence and resistance to current pharmacotherapies. The endocannabinoid system (ECS) has recently been accepted as a multifaceted homeostatic regulator, influencing various physiological processes across different biological compartments, including the skin. This review presents an overview of the pathophysiology of melanoma, current pharmacotherapy used for treatment, and the challenges associated with the different pharmacological approaches. Furthermore, it highlights the utility of cannabinoids as an additive remedy for melanoma by restoring the balance between downregulated immunomodulatory pathways and elevated inflammatory cytokines during chronic skin conditions as one of the suggested critical approaches in treating this immunogenic tumor.This article is categorized under:
Cancer > Molecular and Cellular Physiology
On the exact controllability of a Galerkin scheme for 3D viscoelastic fluids with fractional Laplacian viscosity and anisotropic filtering
Authors: Bisconti Luca , Catania Davide 
Published: November 2023

AbstractWe study a mathematical model describing 3D viscoelastic fluids with memory, fractional viscosity, and regularized by means of a horizontal anisotropic filter. This regularization is obtained through the action of the inverse of the horizontal Helmholtz operator, and the system is considered in a fully periodic space‐domain Ω. After introducing a controlled version of such a model, we take into account for it a suitable Galerkin approximation scheme. Exploiting the Hilbert uniqueness method, we establish the exact controllability of the finite‐dimensional Galerkin system.
Integrability of $$ \mathcal{N} $$ = 1 supersymmetric Ruijsenaars-Schneider three-body system
Authors: Galajinsky Anton 
Published: November 2023

Abstract
An $$ \mathcal{N} $$
N
= 1 supersymmetric extension of the Ruijsenaars-Schneider three-body model is constructed and its integrability is established. In particular, three functionally independent Grassmann-odd constants of the motion are given and their algebraic resolvability is proven. The supersymmetric generalization is used to build a novel integrable isospin extension of the Ruijsenaars-Schneider three-body system.