bluuebunny/crossref_metadata_2025_split huggingface dataset:
Switchable Anisotropic/Isotropic Photon Transport in a Double‐Dipole Metal–Organic Framework via Radical‐Controlled Energy Transfer
Authors: Xiong Zhile , Li Yunbin , Yuan Zhen , Liang Jiashuai , Wang Shuaiqi , Yang Xue , Xiang Shengchang , Lv Yuanchao , Chen Banglin , Zhang Zhangjing 
Published: February 2024

AbstractDirectional control of photon transport at micro/nanoscale holds great potential in developing multifunctional optoelectronic devices. Here, the switchable anisotropic/isotropic photon transport is reported in a double‐dipole metal–organic framework (MOF) based on radical‐controlled energy transfer. Double‐dipole MOF microcrystals with transition dipole moments perpendicular to each other have been achieved by the pillared‐layer coordination strategy. The energy transfer between the double dipolar chromophores can be modulated by the photogenerated radicals, which permits the in situ switchable output on both polarization (isotropy/anisotropy state) and wavelength information (blue/red‐color emission). On this basis, the original MOF microcrystal with isotropic polarization state displays the isotropic photon transport and similar reabsorption losses at various directions, while the radical‐affected MOF microcrystal with anisotropic polarization state shows the anisotropic photon transport with distinct reabsorption losses at different directions, finally leading to the in situ switchable anisotropic/isotropic photon transport. These results offer a novel strategy for the development of MOF‐based photonic devices with tunable anisotropic performance.
Manganese (II) Halides for X‐Ray Imaging and Moisture Detection
Authors: Jiang Rui , Peng Guoqiang , Li Qijun , Wang Haoxu , Ci Zhipeng , Wang Qian 
Published: February 2024

AbstractOrganic–inorganic hybrid metal halides are widely used in X‐ray detection and imaging due to their high X‐ray absorption efficiency, ease of synthesis, and efficient luminescence. However, the issue of lead toxicity remains a concern. In this study, non‐toxic, 0D 2,2′‐(Ethylenedioxy)bis(ethylamine) manganese (II) bromide (EDBEMnBr4) is synthesized using the simple mechanical grinding method and the solution method that exhibits intense green emission at ≈525 nm. Moreover, the change of structure under the influence of temperature and water significantly affects its fluorescence color under UV light. Scintillator materials with and without moisture exposure showed spatial resolutions of 7 and 4 lp mm−1, and low detection limits of 4.62 and 5.25 µGyair s−1, respectively, meeting medical industry standards (<5.5 µGyair s−1). Furthermore, based on the apparent change in luminescence color triggered by moisture for EDBEMnBr4, a preliminary attempt is made to apply it to humidity monitoring showing that the boundary of color change has a good linear dependence on humidity and time. This work provides new opportunities for Mn‐based metal halides in both X‐ray detection as well as moisture detection.
Numerical and experimental investigation of the unexpected thickening effect during PolyActive™ coating of TFC membranes
Authors: Brennecke Florian , Clodt Juliana , Brinkmann Torsten , Abetz Volker 
Published: February 2024

AbstractIn this work, we used a previously described computational fluid dynamics (CFD) model of a roll‐to‐roll coating process for the fabrication of thin‐film composite membranes to predict the final coating thickness for PolyActive™, a commercially available multiblock copolymer utilized for CO2 removal membranes. We found a strong thickening effect that could not be explained by our previous model. We investigated the process experimentally. In addition, we conducted a variety of simulations with extensions of the initial CFD model. Based on our findings, we conclude that the Marangoni effect, that is, gradients of surface tension that induce secondary flow patterns in the meniscus region, is the most likely source of the observed thickening. We explain the simulation results in order to understand the physical mechanisms at play and to show how especially surface tension gradients that arise from the particular flow structure in the meniscus may explain the additional transfer of polymer solution to the membrane. Finally, we draw some conclusions on future research and give ideas on future improvements of the process. To our knowledge, Marangoni effects for the coating of PolyActive™ were not described so far in the literature, even though it is a well‐known polymer for gas separation membranes targeted at CO2 removal. Roll‐to‐roll coating is a well‐established coating method and often believed to be suitable for the scale‐up of membrane production, therefore we think that this work will help membrane researchers who are using similar coating devices to be cautious about possible complications in the process.
Styrene/acrylate copolymer emulsions as strengthening agents for kraft bagasse pulp: A way for enhancing the mechanical properties of paper
Authors: Morsi Samir M. M. , Abd El‐Sayed Essam S. , Ismail Ahmed , Kamel Samir 
Published: February 2024

AbstractAlthough styrene acrylate emulsions (SAE) have demonstrated promising applications as surface sizing agents for paper, their strengthening effect on pulp fibers in papermaking is not clear. In this study, bagasse fibers, an agricultural waste, were treated with SAE to study the influences on the mechanical properties of the produced papers. SAE copolymers with hard chain (H‐PSA) and soft chain (S‐PSA) were prepared and added to bagasse pulp slurry at concentrations of 1%–4% by weight. The findings indicated that for the soft and hard copolymers, the glass transition temperatures were 19.5 and 26.8°C and their emulsion particle sizes were 166 and 182 nm, respectively. The copolymers strengthened the produced paper by wrapping around and forming a network of chemical and physical bonds with the pulp fibers. Papers treated with 3% H‐PSA exhibited the optimum improvement in tensile strength (38 MPa) and breaking length (67 m) by 13% and 64%, respectively. Treated papers were negatively affected by UV radiation due to phenyl groups spread along the chains. The copolymers demonstrated good wet‐strength properties achieved by self‐ and co‐crosslinked networks. The prepared paper sheets showed a preference for the mechanical properties of treated samples over the untreated ones.
Facile synthesis of hybrid nanocomposite based on chitosan binary metal oxides for high‐performance supercapacitor
Authors: Gouda Mohamed , Khalaf Mai. M. , Abou Taleb Manal F. , Abd El‐Lateef Hany M. 
Published: February 2024

AbstractThe advancement in materials for energy storage for supercapacitors has been supported by the current shortage of energy as well as the increasing availability of sources of clean energy. Consequently, two‐dimensional materials based on metal oxide nanoparticles (copper oxide (CuO) and zinc oxide (ZnO), have great potential for the previously discussed utilization. A simple and affordable solid‐state approach was employed to design hybrid nanocomposite based on chitosan (Cs) blended with ZnO and CuO; this nanocomposite was labeled with CZC. The structural, morphological investigation of CZC hybrid nanocomposites, and X‐ray diffraction (XRD) of the prepared nanocomposites were characterized. Consequently, hybrid nanocomposites for application as electrodes for supercapacitor devices were developed. The hybrid nanocomposite (CZC‐3) shows improved cycle stability, high energy density, and a specific capacitance in the electrochemical activity. Remaining at 97.8% of the initial capacitance even after 5000 cycles. These results imply that the hybrid nanocomposite based on Cs/ZnO/CuO has a promising future as a supercapacitor electrode material. Additionally, it provides superior performance to other nanocomposites with a high specific capacitance of 638.3 F/g and about 86.98% capacity retention after 5000 cycles at a current density of 1 A/g.
Effect of phytate doped cobalt and copper ion modified carbon nanotubes on flame retardancy and ceramic properties of silicone rubber
Authors: Bian Ziwei , Xu Wenzong , Yao Le , Jia Ruonan , Ding Ding , Zhang Zhihui 
Published: February 2024

AbstractSilicone rubber (SR) has excellent properties, such as high and low temperature resistance and weather resistance. However, the flame retardancy of SR is rather poor, which severely limits the range of application of SR. Therefore, it is necessary to make certain modifications in order to improve its flame retardancy. In this study, wollastonite, low‐melting glass powder, and phytate‐modified carbon nanotubes (CPCC) were added to SR to prepare ceramizable silicone rubber (CSR) composites with good fire safety performance. The effect of CPCC on the flame retardancy and ceramization properties of CSR materials was investigated. The results showed that, with the addition of 3 phr of CPCC, the limiting oxygen index of the CSR composite material reached 33.8%, which was 26.1% higher than that of pure SR, and its UL‐94 grade reached V‐0 grade. The results of the cone calorimeter test showed that the total heat release of the CSR composite with three parts CPCC was reduced by 26.6%, and the peak heat release rate reduced by 13.1%. In addition, after the CSR6 composite was calcined at 1000°C for 1 h, the ceramic body formed by the composite had good supporting properties, and its bending strength was as high as 6.17 MPa.
Design, Synthesis, and Characterization of Novel Styryl Dyes as Fluorescent Probes for Tau Aggregate Detection in Vitro and in Cells
Authors: Sangsuwan Withsakorn , Faikhruea Kriangsak , Supabowornsathit Kotchakorn , Sangsopon Don , Ingrungruanglert Praewphan , Chuntakaruk Hathaichanok , Nuntavanotayan Napatsaporn , Nakprasit Kittiporn , Israsena Nipan , Rungrotmongkol Thanyada , Chuawong Pitak , Vilaivan Tirayut , Aonbangkhen Chanat 
Published: February 2024

AbstractA series of novel styryl dye derivatives incorporating indolium and quinolinium core structures were successfully synthesized to explore their interacting and binding capabilities with tau aggregates in vitro and in cells. The synthesized dyes exhibited enhanced fluorescence emission in viscous environments due to the rotatable bond confinement in the core structure. Dye 4, containing a quinolinium moeity and featuring two cationic sites, demonstrated a 28‐fold increase in fluorescence emission upon binding to tau aggregates. This dye could also stain tau aggregates in living cells, confirmed by cell imaging using confocal fluorescence microscopy. A molecular docking study was conducted to provide additional visualization and support for binding interactions. This work offers novel and non‐cytotoxic fluorescent probes with desirable photophysical properties, which could potentially be used for studying tau aggregates in living cells, prompting further development of new fluorescent probes for early Alzheimer's disease detection.
Simple calculation of the Moon apsides motion
Authors: Nesterenko V. V. 
Published: February 2024

AbstractA simple and clear method to calculate the averaged motion of the apsis line in the Moon orbit is proposed. The obtained result is for the starry period of the Moon revolution around the Earth or per year. The modern observed value of the latter quantity is per year. In “Principia” Newton derived for the Moon month and per year, that is approximately two times less than the observed values. Contrary to the Newton approach, we use a simple and obvious averaging of the Sun disturbing force for the starry period of the Moon revolution around the Earth. The applicability of the obtained formulae to satellites of other planets and to the planets themselves is argued. Comparing Newton's calculation with our method, we reveal the reason, rather convincing, that brought Newton to an imprecise result.
Establishment and application of quantitative detection of Bacillus velezensis HMB26553, a biocontrol agent against cotton damping‐off caused by Rhizoctonia
Authors: Su Zhenhe , Liu Gaoge , Li Cong , Liu Xiaomeng , Guo Qinggang , Wang Peipei , Dong Lihong , Lu Xiuyun , Zhao Weisong , Zhang Xiaoyun , Qu Yuanghang , Zhang Jiaqi , Mo Shaojing , Li Shezeng , Ma Ping 
Published: February 2024

AbstractA highly sensitive quantitative PCR (qPCR) method was developed for detection and quantification of Bacillus velezensis HMB26553 in cotton rhizosphere. The study aimed to develop a quantitative detection method for the strain HMB26553, and explore the relationship between its colonization of the cotton rhizosphere and its control effect. The whole genome sequence of strain HMB26553 was obtained by genome sequencing and a unique specific sequence pB‐gene0026 on plasmid plaBV2 was identified by using high‐throughput alignment against NCBI. Plasmid plaBV2 could be stably genetically inherited. Based on this sequence, specific primers for amplifying 106 bp and a minor groove binder (MGB) TaqMan probe for enhancing sensitivity were designed. The copy number of plaBV2 in strain HMB26553, which was 2, was confirmed by internal reference primers and the MGB TaqMan probe based on housekeeping gene gyrB. The established detection technique based on these primers and probes had high specificity and sensitivity compared to traditional plate counting method, with a detection limit of 1.5 copy genome. Using this method, the study discovered a likely correlation between the quantity of colonization in cotton rhizosphere and efficacy against cotton damping‐off caused by Rhizoctonia after seed soaking and irrigation with strain HMB26553. Thus, this method provides scientific support for the rational application of strain HMB26553 in the future.
Phenotypic homozygous familial hypercholesterolemia successfully treated with proprotein convertase subtilisin/kexin type 9 inhibitors
Authors: Tani Ryosuke , Matsunaga Keiji , Toda Yuta , Inoue Tomoko , Fu Hai Ying , Minamino Tetsuo 
Published: February 2024

Key Clinical MessageRecent data reveal phenotypic HoFH patients may be responsive to PCSK9 inhibitors, challenging prior assumptions. Genetic testing advancements now more accurately forecast patient responses to these therapies, improving treatment strategies.
High‐Throughput Colorimetric Detection and Quantification of Indoles and Pyrroloindoles for Enzymatic Activity Determination
Authors: Amariei Diana A. , Haase Mona , Klischan Moritz K. T. , Wäscher Martin , Pietruszka Jörg 
Published: February 2024

AbstractIndoles and pyrroloindoles are structural motifs present in many biologically active natural products. Multiple classes of enzymes catalyze the transformation of indoles into pyrroloindoles via group transfer followed by intramolecular cyclization, such as peroxydases, methyltransferases, and prenyltransferases. Due to the selective introduction of a stereogenic center, these enzymes receive increasing attention as catalytic tools for the production of pharmacologically relevant compounds. Two new colorimetric assays are described in this work, which allow for the quantification of such enzymatic reactions from the perspective of the substrate and the product. For the substrates, the indole assay is based on a modified version of the Ehrlich test, with the use of light as a driving force for color formation. The pyrroloindole assay uses cerium sulfate as a reagent for the colorimetric quantification of the enzymatic products. The assays are complementary and both were successfully utilized for enzymatic activity determination of a C3‐indole methyltransferase. They can facilitate high‐throughput screening of mutant libraries, offering support for the engineering of such enzymes, but can also be used as stand‐alone methods for the detection and quantification of natural products.
A Comparative Study of the Structural and Electrochemical Properties of Na3V2(PO4)3/C Cathode Materials for Na‐ion Batteries Prepared by Sol‐Gel vs. Solid‐State Methods
Authors: Kaewmala Songyoot , Kamma Natthapong , Aranmala Komsak , Pipitworrakul Purumet , Nash Jeffrey , Limphirat Wanwisa , Meethong Nonglak 
Published: February 2024

AbstractNa‐ion batteries have attracted much attention as one of the most promising alternatives to lithium‐ion batteries. Na3V2(PO4)3 has been widely investigated as a cathode material for Na‐ion batteries because of its high structural and thermal stability, leading to high cycling performance and safety. The cathode material also possesses a three‐dimensional open framework and consequently provides high ionic conductivity, as well as high‐rate capability. However, the cathode type experiences poor electronic conductivity, affecting its electrochemical properties. It is well established that preparation methods have remarkable effects on the crystal structure and morphology of electrode materials, altering their electrochemical performance. Thus, this work focuses on a comparative study of the morphology, structures, electrochemical performance, and kinetic properties of Na3V2(PO4)3/C cathodes prepared by sol‐gel and solid‐state methods, which are simple and scalable. The results reveal that sol‐gel and solid‐state reaction processes provide Na3V2(PO4)3/C cathode materials with different structural and morphological characteristics, significantly affecting their electrochemical performance and kinetic properties. This is a crucial key to finding a proper synthesis method to achieve Na3V2(PO4)3/C with high performance for commercial large‐scale production.
Evaluating Diazene to N2 Interconversion at Iron‐Sulfur Complexes
Authors: Hooper Reagan X. , Wertz Ashlee E. , Shafaat Hannah S. , Holland Patrick L. 
Published: February 2024

AbstractBiological N2 reduction occurs at sulfur‐rich multiiron sites, and an interesting potential pathway is concerted double reduction/ protonation of bridging N2 through PCET. Here, we test the feasibility of using synthetic sulfur‐supported diiron complexes to mimic this pathway. Oxidative proton transfer from μ‐η1 : η1‐diazene (HN=NH) is the microscopic reverse of the proposed N2 fixation pathway, revealing the energetics of the process. Previously, Sellmann assigned the purple metastable product from two‐electron oxidation of [{Fe2+(PPr3)L1}2(μ‐η1 : η1‐N2H2)] (L1=tetradentate SSSS ligand) at −78 °C as [{Fe2+(PPr3)L1}2(μ‐η1 : η1‐N2)]2+, which would come from double PCET from diazene to sulfur atoms of the supporting ligands. Using resonance Raman, Mössbauer, NMR, and EPR spectroscopies in conjunction with DFT calculations, we show that the product is not an N2 complex. Instead, the data are most consistent with the spectroscopically observed species being the mononuclear iron(III) diazene complex [{Fe(PPr3)L1}(η2‐N2H2)]+. Calculations indicate that the proposed double PCET has a barrier that is too high for proton transfer at the reaction temperature. Also, PCET from the bridging diazene is highly exergonic as a result of the high Fe3+/2+ redox potential, indicating that the reverse N2 protonation would be too endergonic to proceed. This system establishes the “ground rules” for designing reversible N2/N2H2 interconversion through PCET, such as tuning the redox potentials of the metal sites.
The impact of cancer metastases on COVID‐19 outcomes: A COVID‐19 and Cancer Consortium registry‐based retrospective cohort study
Authors: Castellano Cecilia A. , Sun Tianyi , Ravindranathan Deepak , Hwang Clara , Balanchivadze Nino , Singh Sunny R. K. , Griffiths Elizabeth A. , Puzanov Igor , Ruiz‐Garcia Erika , Vilar‐Compte Diana , Cárdenas‐Delgado Ana I. , McKay Rana R. , Nonato Taylor K. , Ajmera Archana , Yu Peter P. , Nadkarni Rajani , O’Connor Timothy E. , Berg Stephanie , Ma Kim , Farmakiotis Dimitrios , Vieira Kendra , Arvanitis Panos , Saliby Renee M. , Labaki Chris , El Zarif Talal , Wise‐Draper Trisha M. , Zamulko Olga , Li Ningjing , Bodin Brianne E. , Accordino Melissa K. , Ingham Matthew , Joshi Monika , Polimera Hyma V. , Fecher Leslie A. , Friese Christopher R. , Yoon James J. , Mavromatis Blanche H. , Brown Jacqueline T. , Russell Karen , Nanchal Rahul , Singh Harpreet , Tachiki Lisa , Moria Feras A. , Nagaraj Gayathri , Cortez Kimberly , Abbasi Saqib H. , Wulff‐Burchfield Elizabeth M. , Puc Matthew , Weissmann Lisa B. , Bhatt Padmanabh S. , Mariano Melissa G. , Mishra Sanjay , Halabi Susan , Beeghly Alicia , Warner Jeremy L. , French Benjamin , Bilen Mehmet A. ,   for the COVID‐19 and Cancer Consortium
Published: February 2024

AbstractBackgroundCOVID‐19 can have a particularly detrimental effect on patients with cancer, but no studies to date have examined if the presence, or site, of metastatic cancer is related to COVID‐19 outcomes.MethodsUsing the COVID‐19 and Cancer Consortium (CCC19) registry, the authors identified 10,065 patients with COVID‐19 and cancer (2325 with and 7740 without metastasis at the time of COVID‐19 diagnosis). The primary ordinal outcome was COVID‐19 severity: not hospitalized, hospitalized but did not receive supplemental O2, hospitalized and received supplemental O2, admitted to an intensive care unit, received mechanical ventilation, or died from any cause. The authors used ordinal logistic regression models to compare COVID‐19 severity by presence and specific site of metastatic cancer. They used logistic regression models to assess 30‐day all‐cause mortality.ResultsCompared to patients without metastasis, patients with metastases have increased hospitalization rates (59% vs. 49%) and higher 30 day mortality (18% vs. 9%). Patients with metastasis to bone, lung, liver, lymph nodes, and brain have significantly higher COVID‐19 severity (adjusted odds ratios [ORs], 1.38, 1.59, 1.38, 1.00, and 2.21) compared to patients without metastases at those sites. Patients with metastasis to the lung have significantly higher odds of 30‐day mortality (adjusted OR, 1.53; 95% confidence interval, 1.17–2.00) when adjusting for COVID‐19 severity.ConclusionsPatients with metastatic cancer, especially with metastasis to the brain, are more likely to have severe outcomes after COVID‐19 whereas patients with metastasis to the lung, compared to patients with cancer metastasis to other sites, have the highest 30‐day mortality after COVID‐19.
Electron–ion temperature relaxation in nonideal plasmas: High accuracy classical molecular dynamics simulations
Authors: Lavrinenko Yaroslav S. , Morozov Igor V. , Valuev Ilya A. 
Published: February 2024

AbstractIn this work, we prepare a simulation framework for a high‐accuracy numerical study of electron–ion temperature relaxation in nonideal (strongly coupled) plasmas. The existing relaxation rate theories require either parameter selection or some pre‐knowledge of the electron–ion correlation functions and effective interaction potentials. This makes non‐equilibrium classical and quantum molecular dynamics simulations a crucial stage in the study of energy transfer rates. We begin by revisiting the classical molecular dynamics simulations of a system of equally charged particles with different masses on a neutralizing background. We accurately simulate this simple ab‐initio (parameterless) system with controlled precision in terms of number of particles, mass ratio, and energy convergence. The predictions for the equally charged system are compared to the previous simulations and theories, which are reproduced with higher accuracy. We also perform a series of classical molecular dynamics simulations of the system of oppositely charged particles with the corrected Kelbg potential based on the quantum statistical approach. We analyze the differences and similarities between the same‐charge and opposite‐charge systems. Some remarks about the forthcoming application of quantum simulations with the help of WPMD or WPMD‐DFT methods are given.