bluuebunny/crossref_metadata_2025_split huggingface dataset:
Efficacy and safety of oral pulmonary vasodilators in pulmonary veno‐occlusive disease
Authors: Nakamura Junichi , Tsujino Ichizo , Shima Hideki , Nakaya Toshitaka , Sugimoto Ayako , Sato Takahiro , Watanabe Taku , Ohira Hiroshi , Suzuki Masaru , Tsuneta Satonori , Hisada Ryo , Kato Masaru , Konno Satoshi 
Published: December 2022

AbstractPulmonary veno‐occlusive disease (PVOD) or pulmonary capillary hemangiomatosis (PCH) is a rare subtype of pulmonary hypertension with dismal prognosis. Limited data are available on the efficacy and safety of orally administered pulmonary vasodilators for PVOD/PCH. Whether and how systemic sclerosis (SSc) affects the clinical outcomes of PVOD/PCH is also unknown. This study aimed to determine the clinical and hemodynamic efficacy and safety of oral pulmonary vasodilators for PVOD/PCH and clarify the possible effects of SSc on the clinical presentation of PVOD/PCH. We retrospectively analyzed the clinical data of 15 patients with PVOD/PCH treated with oral pulmonary vasodilators in our department since 2001. Six of them had SSc. Oral pulmonary vasodilators were administered either as single agents (n = 10) or in combination (n = 5). Treatment improved the functional class of five patients, and pulmonary arterial pressure and pulmonary vascular resistance decreased by 10 ± 12 mmHg and 36 ± 19%, respectively (p < 0.05 for both, n = 13), whereas pulmonary edema developed in three patients. The mean survival was 3.9 years, and the 1‐ and 3‐year survival rates were 93% and 65%, respectively. The clinical presentation, including survival, was similar between patients with and without SSc. In our PVOD/PCH cohort, oral pulmonary vasodilators caused pulmonary edema in 20% of patients, but more than 80% of patients experienced significant pulmonary vasodilatory effects, and the overall prognosis was better than that previously reported. SSc does not adversely affect the clinical outcomes of PVOD/PCH.
Failure mode and effect analysis using the hesitant intuitionistic fuzzy hybrid GRP approach with ordered comprehensive weights
Authors: Yu Jianxing , Xu Ya , Yu Yang , Wu Shibo 
Published: December 2022

AbstractFailure mode and effect analysis (FMEA), a multidisciplinary reliability analysis tool based on team evaluations, has been widely used in various industries. There are three critical issues in FMEA: the conversion of linguistic evaluations, the weights of risk factors, and the ranking mechanism of failure modes. Scholars have used various fuzzy theories and multi‐attribute decision‐making (MADM) methods to improve traditional FMEA, but there are still deficiencies. In this paper, the hesitant intuitionistic fuzzy set (HIFS), a concept that combines the intuitionistic fuzzy set (IFS) and the hesitant fuzzy set (HFS), is introduced into FMEA to convert linguistic evaluations. Some operators based on HIFS are proposed to process the converted data. Among them, a hesitant intuitionistic fuzzy comprehensive weighted Hamming distance (HIFCWHD) operator is proposed to compute the ordered comprehensive weight, effectively weakening the effect of extreme scores on results. The gray relational projection (GRP) method is adopted to determine the risk priority order of the failure modes. Finally, we give an illustrative case to demonstrate the effectiveness of the proposed FMEA method.
Ammonium Hexafluorosilicate (AHFS) Modified HMCM‐22 As Efficient Catalysts for Alkylation of Phenol with Methanol
Authors: Liu Zonghui , Xie Dehua , Ran Jianzhou , Wu Jing , Liu Na , Xue Bing 
Published: December 2022

AbstractA series of xAHFS/HMCM‐22 (x denotes the amount of AHFS treatment on HMCM‐22, AHFS is the abbreviation for ammonium hexafluorosilicate) were prepared and evaluated in the catalytic synthesis of p‐cresol by alkylation of phenol with methanol. Several characterization techniques including N2 adsorption‐desorption, XRD, FT‐IR, 27Al MAS NMR, Pyridine‐IR, and NH3‐TPD have been used to analyze the physicochemical properties of the xAHFS/HMCM‐22 catalyst. The conversion of phenol decreased with increasing x of xAHFS/HMCM‐22 catalyst; while the selectivity for p‐cresol maximized at x=0.07. The 0.07AHFS/HMCM‐22 catalyst was identified as the most efficient catalyst, showing the highest p‐cresol selectivity (53.3 %) for longer than 24 h under optimized reaction conditions (325 °C, WHSV=2 h−1), which is much higher than that of parent HMCM‐22 catalyst (37.1 %). The high p‐cresol selectivity of the catalyst is attributed to AHFS removing part of the acid sites on the external surface of the HMCM‐22, and preserving the acid sites in the micropores of zeolite. By contrast, the decrease in catalyst activity is due to the decrease in total acid sites.
Selective Adsorption and Removal of Congo Red Based on Ethylenediamine Functionalized Mesoporous Silica
Authors: Zhou Yunpeng , Wang Jing , Zhao Qian , Cai Honghui , Zhang Hao 
Published: December 2022

AbstractFive types of mesoporous silica‐based adsorbents were prepared by rationally implementing five diverse amine‐containing functional units into the mesoporous SBA‐15 structures. The prepared materials were characterized by Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, N2 adsorption−desorption isotherms and thermogravimetric analysis. Among the five adsorbents, the ethylenediamine functionalized SBA‐15, namely, AAPTMS‐SBA‐15, achieved the complete adsorption of Congo red (CR) at pH 6.0, with the maximum adsorption capacity of 4608 mg/g. The AAPTMS‐SBA‐15 material was used effectively for CR adsorption from the individual and binary dye aqueous solutions, indicating that AAPTMS‐SBA‐15 can selectively remove and separate CR from wastewater. The hydrogen bonding interactions between AAPTMS‐SBA‐15 and CR were beneficial to the high selectivity and excellent adsorption capacity of AAPTMS‐SBA‐15 toward CR. Moreover, the selective adsorption and efficient separation of CR realized the recovery and reusability of AAPTMS‐SBA‐15 and CR, which can not only avoid secondary environmental pollution, but also save economic costs.
Complexation of N‐Heterocyclic Substituted 1,10‐Phenanthroline‐2,9‐diamide with Am3+/Eu3+ Ions for Nuclear Waste Water Treatment
Authors: Ebenezer Cheriyan , Solomon Rajadurai Vijay 
Published: December 2022

AbstractDesigning organic ligands is a popular strategy in removing hazardous radioactive substances from nuclear wastewater which has been a major environmental concern. In this regard, a new family of alicyclic substituted 1, 10‐ phenanthroline‐2, 9‐diamide ligands has been reported recently for efficient extraction of Am3+ over Eu3+ ions. Thus, a series of 1, 10‐ phenanthroline‐2, 9‐diamide ligands with heterocyclic substituents (Pyrrolidine, Piperidine, Pyrrole and Dihydropyridine) and their 1 : 1 complexes (ML(NO3)3) have been considered for this investigation to understand the role of substitution of heterocycles in selective extraction process in nuclear waste management. An attempt has been made to unveil the complexation behaviour of these ligands with Am3+ and Eu3+ ions from DFT calculations. Electronic structure, Mulliken Population Analysis, Bond Order Analysis, QTAIM (Quantum Theory of Atoms in Molecules) Analysis, and EDA (Energy Decomposition Analysis) were all performed. We addressed the feasibility of ML(NO3)3 complex formation from thermodynamics perspective where Pyrrolidine moiety has been found to show highest selectivity for Am3+ ion. M−O bonds contribute more to the coordinating ability of the ligands than M−N bonds in each complex, according to the findings. Orbital interactions hold the key between M(NO3)3 and the ligand in stabilizing the complexes. The weak covalent character of Metal‐Ligand bonds is addressed from QTAIM analysis. In short, this study offers guidelines to use heterocycles efficiently to design better ligands for selective partitioning of trivalent Am over Eu ions in the spent nuclear fuel processing.
Effect of Alkyl Chain Length on Current‐Voltage Characteristics of BODIPY Molecules Deposited on Si(n++) Substrates
Authors: Shivran Neelam , Koiry Shankar P. , Kushwah Nisha , Chauhan Anil K. , Aswal Dinesh K. , Chattopadhyay Subrata , Mula Soumyaditya 
Published: December 2022

AbstractDespite having good electronic properties, BODIPY (boron dipyrromethene) and its derivatives attract less research attention towards the development of BODIPY based molecular electronics. Here we have investigated the effect of alkyl chain length attached to BODIPY molecule on its diode and negative differential behaviour. An undecenyl‐BODIPY dye (BODIPY‐C11) was designed, synthesized and deposited on Si (111) surface which was further converted into a bilayer using another BODIPY dye, PM567. Various techniques were used to check the arrangement and thickness of the layers which established that the designed molecule is suitable for compact grafting on Si surface. Electrical behaviour of BODIPY‐C11 monolayer and bilayer showed rectification (rectification ratio=500) and NDR property (peak‐to‐valley ratio=1000), respectively with improved device performances as compared to the electrical characteristics shown by 2,6‐diethyl‐4,4‐difluoro‐1,3,5,7‐tetramethyl‐8‐(4’‐(4”‐penteneoxyphenyl)‐4‐bora‐3a,4a‐diaza‐s‐indecene (BODIPY‐C5) grafted on Si. This study established that the electrical behaviour of BODIPY can be modulated by simply changing the alkyl chain length, which will be useful for the development of BODIPY‐based electronic materials.
Atomic Horizons Interpretation on Enhancing Electrochemical Performance of Ni‐Rich NCM Cathode via W Doping: Dual Improvements in Electronic and Ionic Conductivities from DFT Calculations and Experimental Confirmation
Authors: Gao Daichao , Huang Yanwei , Dong Hongliang , Li Chunyu , Chang Chengkang 
Published: December 2022

AbstractThe rapid capacity degradation and poor rate capability hinder the application of Rich‐Ni layered LiNixCoyMnzO2 (NCM) as cathode materials for high‐energy lithium‐ion batteries. In this study, density functional theory (DFT) calculations, combined with conventional electrochemical measurements, reveal from the atomic view that the dual improvements in electronic and ionic conductivities are the main facts for the property enhancement. The bandgap of the cathode material is reduced to 1.1623 eV due to the increased number of electrons near the Fermi level after W intercalation. Such improved electronic conductivity subsequently leads to a suppressed polarization and reduced resistance, enabling an improved cycle life of up to 93.97% after 100 cycles at 0.5 C. Furthermore, the doping with W6+ also introduced a strong WO bond into the layered structure so that the thickness of the Li slab is expanded to 2.6476 Å, which reduces the energy barrier from 0.355 to 0.308 eV for the migration of Li+ within the Li slab, as confirmed by the DFT calculation. Consequently, the rate performance is greatly improved due to the reduced diffusion energy, with a specific capacity of 159.11 mAg−1 even at 5 C rate, indicating high potential for future applications.
Creating Highly Active Iron Sites in Electrochemical N2 Reduction by Fabricating Strongly‐Coupled Interfaces
Authors: Zhao Meng , Wang Jing , Wang Xiao , Xu Jing , Liu Li , Yang Weiting , Feng Jing , Song Shuyan , Zhang Hongjie 
Published: December 2022

AbstractElectrochemical Nc reduction has been regarded as one of the most promising approaches to producing ammonia under mild conditions, but there are remaining pressing challenges in improving the reaction rate and efficiency. Herein, an unconventional galvanic replacement reaction is reported to fabricate a unique hierarchical structure composed of Fe3O4‐CeO2 bimetallic nanotubes covered by Fe2O3 ultrathin nanosheets. Control experiments reveal that CeO2 species play the essential role of stabilizer for Fe2+ cations. Compared with bare CeO2 and Fe2O3 nanotubes, the as‐obtained Fe2O3/Fe3O4‐CeO2 possesses a remarkably enhanced NH3 yield rate (30.9 µg h−1 mgcat−1) and Faradaic efficiency (26.3%). The enhancement can be attributed to the hierarchical feature that makes electrodes more easily to contact with electrolytes. More importantly, as verified by density functional theory calculations, the generation of Fe2O3‐Fe3O4 heterogeneous junctions can efficiently optimize the reaction pathways, and the energy barrier of the potential determining step (the *N2 hydrogenates into *N*NH) is significantly decreased.
Phase Transition Induced via the Template Enabling Cocoon‐like MoS2 an Exceptionally Electromagnetic Absorber
Authors: Fang Jiefeng , You Wenbin , Xu Chunyang , Yang Bintong , Wang Min , Zhang Jincang , Che Renchao 
Published: December 2022

AbstractStructural engineering via the template method is efficient for micro‐nano assembling. However, only structural design and lack of composition control restrict their advanced application. To overcome this issue, applying a template to simultaneously realize the structural design and fine component control is highly desired, which has been ignored. In this study, a spinel‐shaped MoS2 heterostructure with controlled phase ratios of 1H and 2H phase is developed using the AlOOH template method. This work demonstrates that the MoS2 phase transition mechanism from 2H to 1T is substantially attributed to the close exposed crystal's surface and approximately accordant surface energy. The superiority and additional proof are provided based on density‐functional theory simulation, transmission electron microscope holography, etc. With an effective absorptance region of 6.3 GHz under a thickness of 1.4 mm, the reported samples present outstanding microwave absorption capacity. This is attributed to the beneficial coupled effect between the well‐designed structure and phase regulation. This work offers valuable insights into structural engineering and component regulation template methods.
Functional Carbon Quantum Dots for Ocular Imaging and Therapeutic Applications
Authors: Kumar Vijay Bhooshan , Sher Ifat , Rencus‐Lazar Sigal , Rotenstreich Ygal , Gazit Ehud 
Published: December 2022

AbstractCarbon quantum dots (CDs) are a class of emerging carbonaceous nanomaterials that have received considerable attention due to their excellent fluorescent properties, extremely small size, ability to penetrate cells and tissues, ease of synthesis, surface modification, low cytotoxicity, and superior water dispersion. In light of these properties, CDs are extensively investigated as candidates for bioimaging probes, efficient drug carriers, and disease diagnostics. Functionalized CDs represent a promising therapeutic candidate for ocular diseases. Here, this work reviews the potential use of functionalized CDs in the diagnosis and treatment of eye‐related diseases, including the treatment of macular and anterior segment diseases, as well as targeting Aβ amyloids in the retina.
One‐Pot Controllable Assembly of a Baicalin‐Condensed Aptamer Nanodrug for Synergistic Anti‐Obesity
Authors: Tian Jingjing , He Xiaoyun , Lan Xinyue , Liang Xingxing , Zhong Zhaobin , Zhu Longjiao , Chen Keren , Chang Qiaoying , Xu Wentao 
Published: December 2022

AbstractThe rapid, simple and low‐cost preparation of DNA micro‐nano‐architectures remain challenging in biosensing and therapy. Polymerase chain reaction (PCR)‐driven DNA micro‐nano‐flowers are used to construct a nanosized baicalin‐compressed‐aptamer‐nanodrug (bcaND) via one‐pot assembly for targeted and synergistic anti‐obesity. In the design, the tailored Adipo‐8 (tAdi‐8) overhang in the PCR amplicon displays anti‐obesity targeting activity, while the baicalin loaded in the bcaND by embedding the amplicon plays a three‐fold role as a lipid‐lowering factor, bcaND size compressor, and uncoupling protein‐1 (UCP1)‐raised thermogenic activator. The ingenious bcaND represents an advanced multifunctional nanomaterial capable of adjusting the morphology at an optimal 400/1 molar ratio of Mg2+ to phosphate groups, compressing the size from 2.699 µm to 214.76 nm using 1 mg/mL baicalin at a temperature of 70 °C, an effective payload with amplicons of up to 98.94%, and a maximum baicalin load of 86.21 g/g DNA. Responsive release in acidic conditions (pH 5.0) occurs within 72 h, accelerating thermogenesis via UCP1 up‐regulation by 2.5‐fold in 3T3‐L1‐preadipocytes and 13.7‐fold in the white‐adipose‐tissue (WAT) of mice, targeting adipocytes and visceral white adipose tissue. It plays an efficient synergistic role in obesity therapy in vitro and in vivo, providing a new direction for DNA self‐assembly nanotechnology.
Maneuvering the Peroxidase‐Like Activity of Palladium‐Based Nanozymes by Alloying with Oxophilic Bismuth for Biosensing
Authors: Xia Shiyu , Wu Fengxia , Cheng Lu , Bao Haibo , Gao Wenping , Duan Jin , Niu Wenxin , Xu Guobao 
Published: December 2022

AbstractEngineering the catalytic performance of nanozymes is of vital importance for their broad applications in biological analysis, cancer treatment, and environmental management. Herein, a strategy to boost the peroxidase‐like activity of Pd‐based nanozymes with oxophilic metallic bismuth (Bi) is demonstrated, which is based on the incorporation of oxophilic Bi in the Pd‐based alloy nanocrystals (NCs). To synthesize PdBi alloy NCs, a seed‐mediated method is employed with the assistance of underpotential deposition (UPD) of Bi on Pd. The strong interaction of Bi atoms with Pd surfaces favors the formation of alloy structures with controllable shapes and excellent monodispersity. More importantly, the PdBi NCs show excellent peroxidase‐like activities compared with pristine Pd NCs. The structure–function correlations for the PdBi nanozymes are elucidated, and an indirect colorimetric method based on cascade reactions to determine alkaline phosphatase (ALP) is established. This method has good linear range, low detection limit, excellent selectivity, and anti‐interference. Collectively, this work not only provides new insights for the design of high‐efficiency nanozymes, expands the colorimetric sensing platform based on enzyme cascade reactions, but also represents a new example for UPD‐directed synthesis of alloy NCs.
Designed Synthesis of Compartmented Bienzyme Biocatalysts Based on Core–Shell Zeolitic Imidazole Framework Nanostructures
Authors: Wu Gaohui , Li Meng , Luo Zhigang , Qi Liang , Yu Long , Zhang Shaobo , Liu Hongsheng 
Published: December 2022

AbstractFor complex cascade biocatalysis, multienzyme compartmentalization helps to optimize substrate transport channels and promote the orderly and tunable progress of step reactions. Herein, a simple and general synthesis strategy is proposed for the construction of a multienzyme biocatalyst by compartmentalizing glucose oxidase and horseradish peroxidase (GOx and HRP) within core–shell zeolite imidazole frameworks (ZIF)‐8@ZIF‐8 nanostructures. Owing to the combined effects of biomimetic mineralization and the fine regulation of the ZIF‐8 growth process, the uniform shell encloses the seed (core) surface by epitaxial growth, and the bienzyme system is accurately localized in a controlled manner. The versatility of this strategy is also reflected in ZIF‐67. Meanwhile, with the ability to covalently bind divalent metal ions, lithocholic acid (LCA) is used as a competitive ligand to improve the pore structure of the ZIF from a single micropore to a hierarchical micro/mesopore network, which greatly increases mass transfer efficiency. Furthermore, the multienzyme cascade reaction is exemplified by the oxidation of o‐phenylenediamine (OPD). The findings show that the bienzyme assembly strategy significantly affects the biocatalytic efficiency mainly by influencing the utilization efficiency of the intermediate (Hydrogen peroxide, H2O2) between the step reactions. This study sheds new light on facile synthetic routes to constructing in vitro multienzyme biocatalysts.
Assessment of fracture energy of strain‐hardening fiber‐reinforced cementitious composite using experiment and machine learning technique
Authors: Tran Ngoc Thanh , Nguyen Tan Khoa , Nguyen Duy‐Liem , Le Quang Huy 
Published: December 2022

AbstractThis study investigates effects of both matrix strength and fiber type on fracture energy of strain‐hardening fiber‐reinforced concrete cementitious composite (SHFRCC) under direct tensile test. Three steel fiber types (twisted, hooked, and smooth fibers) were reinforced to three matrices with different compressive strengths, ranging from 28 to 180 MPa. In addition, a considerable number of direct tensile test results were collected to develop a machine learning‐based model for estimating fracture energy of SHFRCCs. The test results indicated that the fracture energy of SHFRCCs exhibited significant improvements with increasing matrix strength. Moreover, smooth fibers generated the highest values of fracture energy in the matrix with the highest compressive strength of 180 MPa whereas twisted did in other matrices. From the prediction results, the possibility of using a machine learning‐based model to predict the fracture energy of SHFRCCs was demonstrated.
Flexural performance of mortise–tenon wet joints in prefabricated ribbed beam bridges
Authors: Wang Xinqi , Tian Shuai , Sun Bo , Zhang Xiaotao , Zhang Zhongwei 
Published: December 2022

AbstractIn this study, the influence of mortise–tenon joint structures on the cracking performance of wet joint interfaces in prefabricated reinforced concrete ribbed beam bridges was evaluated by experimentally investigating four specimens involving different joint structures and theoretically analyzing one specimen with no joint structure. The results revealed that mortise–tenon joint structures exhibited superior crack resistance compared to non‐jointed structures, vertical, inclined, and V‐shaped joints. In particular, the mortise–tenon joint specimen was observed to maintain excellent deflection shape during the failure stage, exhibit abundant development in the deflection curve, and demonstrate optimum stiffness among all joint specimens. Its cracking load was consistent with that of the non‐jointed specimen and 49% higher than the cracking loads of ordinary vertical joint specimens. The tenon structure exhibited good mechanical locking performance at the joint, thereby effectively limiting joint interface cracking. The tenon root was the weakest component of the tenon–tenon joint structure. The short‐term stiffness degeneration coefficient of the mortise–tenon joint specimen was 0.952. The findings indicated that the application of Chinese traditional mortise–tenon wood joint structure to the deck of a ribbed beam bridge is feasible. The conclusions of this study are expected to serve as a reference for the future design of wet joints in prefabricated ribbed beam bridges.