bluuebunny/crossref_metadata_2025_split huggingface dataset:
Total Resource Circulation of Desalination Brine: A Review
Authors: Lee Cheng‐Han , Ho Hsing‐Jung , Chen Wei‐Sheng , Iizuka Atsushi 
Published: March 2024

AbstractDesalination brine is a concentrated stream that is generated during the desalination process. Brine commonly has high salinity and TDS (total dissolved ions), which contains ions such as Na+, K+, Ca2+, Mg2+, Cl−, SO42−, HCO3−, PO43−, and some critical elements. Currently, the brine treatment mainly applies direct disposal, like surface water discharge, sewer discharge, deep‐well injection, and evaporation ponds. However, these methods can cause harm to marine ecosystems, soil, and groundwater. Therefore, brine can be regarded as a resource to be reutilized. This work then aims to highlight the novel developments of brine application. For example, Na, Ca, and Mg in brine can be employed for carbon capture and utilization with ammonia, amines, and alkaline substances. With slight adjustment, brine can also be directly used as irrigation water, aquaculture water, and the activation of biochar. Furthermore, brine holds a higher concentration of critical elements, which makes many countries and scholars start to conduct element extraction, reducing the amount of ore exploitation. At last, the major obstacles related to these advancements in sustainability, expenses, and technological aspects are outlined, and promising research trends of brine reutilization are also suggested.
Constructing Structural Isomers to Reveal and Enhance Lithium Storage in a Conducting Polymer
Authors: Dai Huichao , Chen Yuan , Gao Yanbo , Gong Lei , Fan Kun , Zou Jincheng , Wang Xiaobo , Zhang Chenyang , Fu Manli , Zhang Guoqun , Cao Yueyue , Wang Chengliang 
Published: March 2024

AbstractOrganic electrodes have gained great interest for batteries. Conducting polymers have the merits of high conductivity, and hence are attempted as electrode materials in batteries as soon as their discoveries. However, conducting polymers showe poor electrochemical performance and are baring vague charge storage mechanisms. Here, a strategy is reported to reveal the charge storage mechanisms of conducting polymers by constructing isomers and using polypyridines as a proof‐of‐concept. Polypyridines are rarely studied and its redox activity is still not clear. The results indicate that every pyridine ring can accept one electron and the dimer unit with adjacent C═N groups can gain one more electron through chelation effects with Li ions. The electron transferred number and the chelation effects can be quantified by the matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF) mass spectroscopy and verified by density functional theory (DFT) calculations. As a result, one of the polypyridine isomers delivers the highest capacity of 504 mAh g−1 after deducting the contribution of conductive additives. This work provides a universal way to reveal the charge storage mechanism and highlights the significance of adjacent active centers to form chelation with Li ions and hence enhance the performance of organic batteries.
Gd‐based molecular coolants: Aggregating for better magnetocaloric effect
Authors: Zhai Yuan‐Qi , Chen Wei‐Peng , Evangelisti Marco , Fu Zhendong , Zheng Yan‐Zhen 
Published: March 2024

AbstractTwo series of 3d‐Gd mixed‐metal phosphonate complexes with either only two gadolinium centers such as {Gd2}, {Ni2Gd2}, {Co4Gd2}, {Co8Gd2}, {Fe6Gd2}, and {Fe17Gd2} or more than two gadoliniums such as {Co8Gd4}, {Mn8Gd4}, {Co4Gd6}, {Mn4Gd6}, {Co6Gd8}, {Ni5Gd8}, {Ni6Gd6}, {Co8Gd8}, and {Mn9Gd9} have been solvothermally prepared and magnetothermally studied. The nearly identical environments of the Gd(III) dimer in the first series allow us to qualitatively analyze the effect of magnetic exchange coupling on the magnetocaloric effect (MCE). By doubling, tripling, or quadrupling of the Gd(III) centers, the second series of 3d‐Gd mixed‐metal complexes was built to further test the other effects of exchange couplings on MCE in more complicated circumstances. For the antiferromagnetic coupling cases, the results are nearly identical but diversify when topological spin frustrations are created, whose massive low‐lying excited spin states help enhance MCE. For presumably ferromagnetically coupled ones, albeit are rare in phosphonate complexes, they do exhibit excellent MCE. Meanwhile, the complexes with weakly coupled metal centers serve as excellent examples for studying the effect of molecular mass on MCE when its magnitude is expressed in the unit of Joule per kilogram, from which we can see the values are directly proportional to the percentage of the Gd(III) ions in molecular weight.
Ynamide and Azaalleneyl. Acid‐Base Promoted Chelotropic and Spin‐State Rearrangements in a Versatile Heterocumulene [(Ad)NCC(tBu)]−
Authors: Russell John B. , Jafari Mehrafshan G. , Kim Jun‐Hyeong , Pudasaini Bimal , Ozarowski Andrew , Telser Joshua , Baik Mu‐Hyun , Mindiola Daniel J. 
Published: March 2024

AbstractWe introduce the heterocumulene ligand [(Ad)NCC(tBu)]− (Ad=1‐adamantyl (C10H15), tBu=tert‐butyl, (C4H9)), which can adopt two forms, the azaalleneyl and ynamide. This ligand platform can undergo a reversible chelotropic shift using Brønsted acid‐base chemistry, which promotes an unprecedented spin‐state change of the [VIII] ion. These unique scaffolds are prepared via addition of 1‐adamantyl isonitrile (C≡NAd) across the alkylidyne in complexes [(BDI)V≡CtBu(OTf)] (A) (BDI−=ArNC(CH3)CHC(CH3)NAr), Ar=2,6‐iPr2C6H3) and [(dBDI)V≡CtBu(OEt2)] (B) (dBDI2−=ArNC(CH3)CHC(CH2)NAr). Complex A reacts with C≡NAd, to generate the high‐spin [VIII] complex with a κ1‐N‐ynamide ligand, [(BDI)V{κ1‐N‐(Ad)NCC(tBu)}(OTf)] (1). Conversely, B reacts with C≡NAd to generate a low‐spin [VIII] diamagnetic complex having a chelated κ2‐C,N‐azaalleneyl ligand, [(dBDI)V{κ2‐N,C‐(Ad)NCC(tBu)}] (2). Theoretical studies have been applied to better understand the mechanism of formation of 2 and the electronic reconfiguration upon structural rearrangement by the alteration of ligand denticity between 1 and 2.
Dipolar Chemical Bridge Induced CsPbI3 Perovskite Solar Cells with 21.86 % Efficiency
Authors: Qiu Junming , Mei Xinyi , Zhang Mingxu , Wang Guoliang , Zou Shengwen , Wen Long , Huang Jianmei , Hua Yong , Zhang Xiaoliang 
Published: March 2024

AbstractCsPbI3 perovskite receives tremendous attention for photovoltaic applications due to its ideal band gap and good thermal stability. However, CsPbI3 perovskite solar cells (PSCs) significantly suffer from photovoltage deficits because of serious interfacial energy losses within the PSCs, which to a large extent affects the photovoltaic performance of PSCs. Herein, a dipolar chemical bridge (DCB) is constructed between the perovskite and TiO2 layers to lower interfacial energy losses and thus improve the charge extraction of PSCs. The results reveal that the DCB could form a beneficial interfacial dipole between the perovskite and TiO2 layers, which could optimize the interfacial energetics of perovskite/TiO2 layers and thus improve the energy level alignment within the PSCs. Meanwhile, the constructed DCB could also simultaneously passivate the surface defects of perovskite and TiO2 layers, greatly lowering interfacial recombination. Consequently, the photovoltage deficit of CsPbI3 PSCs is largely reduced, leading to a record efficiency of 21.86 % being realized. Meanwhile, the operation stability of PSCs is also largely improved due to the high‐quality perovskite films with released interfacial tensile strain being obtained after forming the DCB within the PSCs.
Halide Superionic Conductors with Non‐Close‐Packed Anion Frameworks
Authors: Luo Jin‐Da , Zhang Yixi , Cheng Xiaobin , Li Feng , Tan Hao‐Yuan , Zhou Mei‐Yu , Wang Zi‐Wei , Hao Xu‐Dong , Yin Yi‐Chen , Jiang Bin , Yao Hong‐Bin 
Published: March 2024

AbstractHalide superionic conductors (SICs) are drawing significant research attention for their potential applications in all‐solid‐state batteries. A key challenge in developing such SICs is to explore and design halide structural frameworks that enable rapid ion movement. In this work, we show that the close‐packed anion frameworks shared by traditional halide ionic conductors face intrinsic limitations in fast ion conduction, regardless of structural regulation. Beyond the close‐packed anion frameworks, we identify that the non‐close‐packed anion frameworks have great potential to achieve superionic conductivity. Notably, we unravel that the non‐close‐packed UCl3‐type framework exhibit superionic conductivity for a diverse range of carrier ions, including Li+, Na+, K+, and Ag+, which are validated through both ab initio molecular dynamics simulations and experimental measurements. We elucidate that the remarkable ionic conductivity observed in the UCl3‐type framework structure stems from its significantly more distorted site and larger diffusion channel than its close‐packed counterparts. By employing the non‐close‐packed anion framework as the key feature for high‐throughput computational screening, we also identify LiGaCl3 as a promising candidate for halide SICs. These discoveries provide crucial insights for the exploration and design of novel halide SICs.
Intramolecular Cation‐π Interactions Organize Bowl‐Shaped, Luminescent Molecular Containers
Authors: He Jia , Bai Minggui , Xiao Xuedong , Qiu Shuai , Chen Wenzhuo , Li Jiaqi , Yu Yang , Tian Wei 
Published: March 2024

AbstractMolecules with nonplanar architectures are highly desirable due to their unique topological structures and functions. We report here the synthesis of two molecular containers (1 ⋅ 3Br− and 1 ⋅ 3Cl−), which utilize intramolecular cation‐π interactions to enforce macrocylic arrangements and exhibit high binding affinity and luminescent properties. Remarkably, the geometry of the cation‐π interaction can be flexibly tailored to achieve a precise ring arrangement, irrespective of the angle of the noncovalent bonds. Additionally, the C−H⋅⋅⋅Br− hydrogen bonds within the container are also conducive to stabilizing the bowl‐shaped conformation. These bowl‐shaped conformations were confirmed both in solution through NMR spectroscopy and in the solid state by X‐ray studies. 1 ⋅ 3Br− shows high binding affinity and selectivity: F−>Cl−, through C−H⋅⋅⋅X− (X=F, Cl) hydrogen bonds. Additionally, these containers exhibited blue fluorescence in solution and yellow room‐temperature phosphorescence (RTP) in the solid state. Our findings illustrate the utility of cation‐π interactions in designing functional molecules.
Pt‐Decorated Gold Nanoflares for High‐Fidelity Phototheranostics: Reducing Side‐Effects and Enhancing Cytotoxicity toward Target Cells
Authors: Quan Ke , Li Xiaoyuan , Deng Jiaqi , Chen Weiju , Zou Zhen , Chen Kun , Wu Linlin , Liu Juewen , Qing Zhihe 
Published: March 2024

AbstractFunctionalized with the Au−S bond, gold nanoflares have emerged as promising candidates for theranostics. However, the presence of intracellular abundantly biothiols compromises the conventional Au−S bond, leading to the unintended release of cargoes and associated side‐effects on non‐target cells. Additionally, the hypoxic microenvironment in diseased regions limits treatment efficacy, especially in photodynamic therapy. To address these challenges, high‐fidelity photodynamic nanoflares constructed on Pt‐coated gold nanoparticles (Au@Pt PDNF) were communicated to avoid false‐positive therapeutic signals and side‐effects caused by biothiol perturbation. Compared with conventional photodynamic gold nanoflares (AuNP PDNF), the Au@Pt PDNF were selectively activated by cancer biomarkers and exhibited high‐fidelity phototheranostics while reducing side‐effects. Furthermore, the ultrathin Pt‐shell catalysis was confirmed to generate oxygen which alleviated hypoxia‐related photodynamic resistance and enhanced the antitumor effect. This design might open a new venue to advance theranostics performance and is adaptable to other theranostic nanomaterials by simply adding a Pt shell.
Electron‐Donating Conjugation Effect Modulated Zn2+ Reduction Reaction for Separator‐Free Aqueous Zinc Batteries
Authors: Sun Zhihao , Bu Fanxing , Zhang Yanyan , Zhou Wanhai , Li Xinran , Liu Xin , Jin Hongrun , Ding Shixiang , Zhang Tengsheng , Wang Lipeng , Li Hongpeng , Li Wei , Zhang Chaofeng , Zhao Dongyuan , Wang Yonggang , Chao Dongliang 
Published: March 2024

AbstractZinc‐based aqueous batteries (ZABs) are attracting extensive attention due to the low cost, high capacity, and environmental benignity of the zinc anode. However, their application is still hindered by the undesired zinc dendrites. Despite Zn‐surface modification being promising in relieving dendrites, a thick separator (i.e. glass fiber, 250–700 μm) is still required to resist the dendrite puncture, which limits volumetric energy density of battery. Here, we pivot from the traditional interphase plus extra separator categories, proposing an all‐in‐one ligand buffer layer (ca. 20 μm) to effectively modulate the Zn2+ transfer and deposition behaviors proved by in situ electrochemical digital holography. Experimental characterizations and density functional theory simulations further reveal that the catechol groups in the buffer layer can accelerate the Zn2+ reduction reaction (ZRR) through the electron‐donating p‐π conjugation effect, decreasing the negative charge in the coordination environment. Without extra separators, the elaborated system endows low polarization below 28.2 mV, long lifespan of 4950 h at 5 mA cm−2 in symmetric batteries, and an unprecedented volumetric energy density of 99.2 Wh L−1 based on the whole pouch cells. The concomitantly “separator‐free” and “dendrite‐free” conjugation effect with an accelerated ZRR process could foster the progression of metallic anodes and benefit energetic aqueous batteries.
Constructing Dynamic Anode/Electrolyte Interfaces Coupled with Regulated Solvation Structures for Long‐Term and Highly Reversible Zinc Metal Anodes
Authors: Han Mei‐Chen , Zhang Jia‐Hao , Yu Chun‐Yu , Yu Jia‐Cheng , Wang Yong‐Xin , Jiang Zhi‐Guo , Yao Ming , Xie Gang , Yu Zhong‐Zhen , Qu Jin 
Published: March 2024

AbstractAqueous zinc ion batteries (AZIBs) show a great potential for next‐generation energy storage due to their high safety and high energy density. However, the severe side reactions of zinc negative electrode largely hinder the further application of AZIBs. Herein, trace tris(hydroxymethyl)aminomethane (Tris) additive with rich lone‐pair‐electrons and zincophilic sites is firstly introduced to achieve long‐term and highly reversible Zn plating/stripping. Specifically, Tris not only regulates the solvation structure of Zn2+, but is also adsorbed vertically on the Zn anode surface with a changed coordination intensity during the plating/stripping process of Zn to generate an in situ dynamic adsorption layer for the first time. The dynamic adsorption layer could successively attract the solvated Zn2+ and then promote the de‐solvation of the solvated Zn2+ owing to the orientation polarization with regularly‐changed applied electric field, the volume rejection effect, and strong intermolecular force towards H2O of the vertically‐adsorbed Tris. Therefore, an improved Zn2+‐transport kinetics as well as the inhibition of side reactions of Zn anode are successfully realized. Accordingly, the Zn||Zn symmetric cell provides an ultra‐long cycle life of 2600 h. Furthermore, the Zn||MnO2 full cell with Tris could demonstrate a high capacity and structural stability for practical applications.
Study on the dynamic response of aluminum‐based curved panels coated with polyurea under impact loads
Authors: Gu Meng , Song Fuchen , Wang Haozhe , Guo Hui , Yu Anfeng 
Published: March 2024

AbstractMetal curved panels are commonly used in engineering structures, but they may be more susceptible to damage under impact loads compared to flat panels. Polyurea coating has been proposed as a solution to improve impact resistance. Therefore, this study investigates the impact resistance performance of curved composite panels by applying polyurea coating to aluminum‐based panels with different curvatures. First, a numerical model of polyurea‐coated aluminum composite panels was established using the finite element software LS‐DYNA, and the sensitivity of model mesh and the numerical model validity were carried out. Then, the impact resistance performance of polyurea‐coated aluminum‐based flat panels was studied from the aspects such as deformation modes and energy dissipation, and the influence of polyurea layer thickness and coating position on the impact resistance performance of polyurea‐coated aluminum composite panels was analyzed. Based on the above results, numerical models of polyurea‐coated aluminum‐based curved panels under different curvatures are further established, and the impact resistance performance of composite curved panels and the structural forms for effective protection against impact loads are comprehensively analyzed. The research results indicate that double‐sided polyurea coating is the optimal coating method for both aluminum flat panels and aluminum curved panels. After the coating thickness reaches 4 mm, there is no significant improvement in the structural impact resistance performance. The impact deformation of curved panels can be divided into four stages: dynamic buckling, plastic indentation, rebound deformation, and vibration. The concave surface has strong impact and deformation resistance, and the convex surface has strong impact resistance. The research results have important theoretical implications for the safe engineering design of protective structures using metal curved panels.
Selenized lactic acid bacteria microencapsulated by spray drying: A promising strategy for beef cattle feed supplementation
Authors: Schwingel Henn Guilherme , Cima Larissa Zago , Bettanin Beatriz Fabris , Schlabitz Cláudia , Neutzling Lehn Daniel , de Souza Claucia Fernanda Volken , Hoehne Lucélia 
Published: March 2024

AbstractThis study aimed to assess the technical feasibility of incorporating selenized Lactobacillus spp. microencapsulated via spray drying into cattle feed. Gum Arabic and maltodextrin were used as encapsulating agents. The encapsulation process was carried out with a drying air flow rate of 1.75 m3/min, inlet air temperature of 90°C, and outlet air temperature of 75°C. The viability of the encapsulated microorganisms and the technological characteristics of the obtained microparticles were evaluated. Microorganisms were incorporated into beef cattle feed to supplement their diet with up to 0.3 mg of Se per kilogram of feed. The encapsulated particles, consisting of a 50/50 ratio of gum Arabic/maltodextrin at a 1:20 proportion of selenized biomass to encapsulant mixture, exhibited superior technical viability for application in beef cattle feed. Supplemented feeds displayed suitable moisture, water activity, and hygroscopicity values, ensuring the preservation of viable microorganisms for up to 5 months of storage, with an approximate count of 4.5 log CFU/g. Therefore, supplementing beef cattle feed with selenized and microencapsulated lactic acid bacteria represents a viable technological alternative, contributing to increased animal protein productivity through proper nutrition.
Immune checkpoint inhibitors in high‐grade upper tract urothelial carcinoma: Paradigm shift emphasizing organ preservation
Authors: Khalil Mahmoud , Fishman Andrew , Komorowski Anna , Franco Israel , Grasso Michael 
Published: March 2024

AbstractObjectiveThe aim was to evaluate the role of immune check point inhibitors (ICIs) in patients with high‐grade upper tract urothelial carcinoma (UTUC) who are managed endoscopically when nephroureterectomy (NU) is not feasible, such as in patients who are either not candidates for NU or decline extirpative surgery.MethodsAll patients diagnosed with high‐grade UTUC and managed endoscopically between January 1996 and August 2022 were included in the study. Subsequently, patients were categorised based on their use of ICIs into group 1 (patients who did not receive ICIs) and group 2 (patients who received ICIs). Survival outcomes were assessed using Kaplan–Meier analysis, while a multivariable regression model was employed to analyse the impact of clinical characteristics on survival.ResultsA total of 29 patients were enrolled, with 14 in group 1 and 15 in group 2. Both groups exhibited similar demographic and disease characteristics, including multifocality, laterality and initial tumour size. The median follow‐up period was 29.2 months. Notably, group 2 demonstrated significantly enhanced overall and metastasis‐free survival rates compared to group 1. At 47.8 months, the overall survival rate was 0% (all patients died) in group 1, whereas it was 85.7% in group 2. Similarly, the metastasis‐free survival rate was 0% (all patients had metastatic disease) in group 1 at 40.6 months, whereas it reached 78.0% in group 2. The multivariable analysis indicated a correlation between ICI usage and improved survival outcomes, with a hazard ratio of 0.002.ConclusionUtilisation of adjuvant ICIs in the setting of endoscopically treated patients with high‐grade UTUC is associated with significantly improved survival rates. ICIs should be considered in this patient population, however, more studies with larger sample size are warranted.
Advances in two‐dimensional transition metal dichalcogenides‐based sensors for environmental, food, and biomedical analysis: A review
Authors: Raghunathan Muthukumar , Kapoor Ashish , Mohammad Akbar , Kumar Praveen , Singh Rajeev , Tripathi Subhash C. , Muzammil Khursheed , Pal Dan Bahadur 
Published: March 2024

AbstractTransition metal dichalcogenides (TMDCs) are versatile two‐dimensional (2D) nanomaterials used in biosensing applications due to their excellent physical and chemical properties. Due to biomaterial target properties, biosensors' most significant challenge is improving their sensitivity and stability. In environmental analysis, TMDCs have demonstrated exceptional pollutant detection and removal capabilities. Their high surface area, tunable electronic properties, and chemical reactivity make them ideal for sensors and adsorbents targeting various contaminants, including heavy metals, organic pollutants, and emerging contaminants. Furthermore, their unique electronic and optical properties enable sensitive detection techniques, enhancing our ability to monitor and mitigate environmental pollution. In the food analysis, TMDCs‐based nanomaterials have shown remarkable potential in ensuring food safety and quality. These nanomaterials exhibit high specificity and sensitivity for detecting contaminants, pathogens, and adulterants in various food matrices. Their integration into sensor platforms enables rapid and on‐site analysis, reducing the reliance on centralized laboratories and facilitating timely interventions in the food supply chain. In biomedical studies, TMDCs‐based nanomaterials have demonstrated significant strides in diagnostic and therapeutic applications. Their biocompatibility, surface functionalization versatility, and photothermal properties have paved the way for novel disease detection, drug delivery, and targeted therapy approaches. Moreover, TMDCs‐based nanomaterials have shown promise in imaging modalities, providing enhanced contrast and resolution for various medical imaging techniques. This article provides a comprehensive overview of 2D TMDCs‐based biosensors, emphasizing the growing demand for advanced sensing technologies in environmental, food, and biomedical analysis.