bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evidence of a Uranium‐Paddlewheel Node in a Catecholate‐Based Metal–Organic Framework
Authors: Knapp Julia G. , Wang Xijun , Rosen Andrew S. , Wang Xingjie , Gong Xinyi , Schneider Matthew , Elkin Tatyana , Kirlikovali Kent O. , Fairley Melissa , Krzyaniak Matthew D. , Wasielewski Michael R. , Gianneschi Nathan C. , Snurr Randall Q. , Farha Omar K. 
Published: May 2023

AbstractThe interactions between uranium and non‐innocent organic species are an essential component of fundamental uranium redox chemistry. However, they have seldom been explored in the context of multidimensional, porous materials. Uranium‐based metal–organic frameworks (MOFs) offer a new angle to study these interactions, as these self‐assembled species stabilize uranium species through immobilization by organic linkers within a crystalline framework, while potentially providing a method for adjusting metal oxidation state through coordination of non‐innocent linkers. We report the synthesis of the MOF NU‐1700, assembled from U4+‐paddlewheel nodes and catecholate‐based linkers. We propose this highly unusual structure, which contains two U4+ ions in a paddlewheel built from four linkers—a first among uranium materials—as a result of extensive characterization via powder X‐ray diffraction (PXRD), sorption, transmission electron microscopy (TEM), and thermogravimetric analysis (TGA), in addition to density functional theory (DFT) calculations.
Improvement of flame retardancy and thermal stability of highly loaded low density polyethylene/magnesium hydroxide composites
Authors: Yücesoy Aykut , Balçik Tamer Yasemin , Berber Hale 
Published: May 2023

AbstractThis study aims to enhance the flame retardant efficiency and thermal stability of low density polyethylene (LDPE) by using halogen‐free inorganic additives. To prepare the highly loaded flame retardant polymer composites, LDPE melt mixes with magnesium hydroxide and magnesium carbonate at different weight ratios using a twin‐screw extruder. The composites are characterized by thermogravimetric analysis, crystallinity degree, tensile strength, morphological analysis, limiting oxygen index and UL‐94 vertical burning test. An optimum MH/MC weight ratio of 60/40 provides satisfactory composite properties with increased maximum thermal degradation temperature from 472.3 to 483.5°C, the highest LOI value of 32.5% and a UL‐94 V‐0 rating without melt dripping. The homogeneity of this composite is improved by using a polymeric compatibilizer, MAH‐g‐PE and an enhancement in tensile strength, elongation at break and elastic modulus values of 33.68%, 33.02% and 23.55%, respectively, are obtained. In order to create synergism between the flame retardant additives, 1, 3 and 5 wt% zinc borate is added to the composite system. The incorporation of 5 wt% ZB causes a significant delay in the thermal decomposition of MH with an improvement of 51.8°C in maximum degradation temperature. This composite also exhibits a satisfactory flame retardant grade with a UL‐94 V‐0 rating.
Improved interfacial polarization of poly(vinylidene fluoride‐chlorotrifluoroethylene) composite with BaTiO3@polyaniline core‐shell fiber
Authors: Liao Pengwei , Ye Huijian , Xu Lixin 
Published: May 2023

AbstractWith the advantages of self‐healing and high breakdown, polymer film is the promising candidate in next‐generation dielectric capacitor. However, the energy density of polymer dielectrics needs to be further improved for the film capacitor with superior energy storage performance. It is particularly important to explore the energy loss mechanism under external electric field based on the interfacial effect in polymer composite. In this work, the energy storage capability of poly(vinylidene fluoride‐chlorotrifluoroethylene) composite with core‐shell BaTiO3@polyainline (BTO@PANI) fiber has been investigated. The electrical conductivity of BTO@PANI is regulated by controlling acid concentration in microemulsion polymerization. The dielectric constant of 0.1 wt% composite increases to 27.7 with low dielectric loss of 0.0576 at 10 kHz. The released energy density of 0.1 wt% composite reaches 10.03 J/cm3 with charge–discharge efficiency of 70.5% at 300 MV/m. The core‐shell BTO@PANI fibers are served as the trapping sites of charge carriers, which contributes to the formation of microcapacitor in composite. As an interactive channel, PANI fiber provides diffusion paths for the charge carriers, thus conducting the polarized response of composite. Polymer composite with fibrous structure demonstrates large polarization, and this work sheds light on the energy loss related to the conductivity of interface in polymer dielectric film.
Crossover from Positive to Negative Spin Hall Signal in a Ferromagnetic Metal Induced by the Magnetization Modulated Interface Effect
Authors: Zhu Zhaozhao , Liu Ruixi , Zhang Ying , Liu Yi , Yuan Zhe , Cai Jian‐Wang 
Published: May 2023

AbstractThe spin Hall effect and its inverse (SHE/ISHE), describing the charge‐to‐spin interconversion, are of critical importance to the fundamental physics involving spin‐orbit coupling and the application of spintronic devices. These phenomena in nonmagnetic materials are reasonably understood after extensive studies. In ferromagnetic metals, however, the fundamental issue of generation and transport of pure spin current, especially the interplay of charge‐to‐spin interconversion and magnetization, is as‐yet poorly understood. Here, direct experimental evidence for the sign change in ISHE by injecting a spin current from Y3Fe5O12 into a Fe film via a Cu spacer is reported. The sizable negative ISHE signal (VISHE) in nanometer‐thick Fe films reverses its sign with a comparable magnitude when Fe magnetization is varied from a longitudinal to transverse orientation with respect to spin current polarization. With decreasing Fe thickness, this negative longitudinal VISHE increases rapidly to a larger positive value in magnitude. The opposite spin Hall angles for longitudinally and transversely polarized spin currents are reproduced by first‐principles transport calculations and the sign change is attributed to the anisotropic contribution at the ferromagnetic interface. This work lays a firm foundation for manipulating spin‐to‐charge interconversion with an extra degree of freedom of magnetization orientation through ferromagnetic metals.
Imidazopyridine chalcones as potent anticancer agents: Synthesis, single‐crystal X‐ray, docking, DFT and SAR studies
Authors: Soumyashree Dilip Kamble , Reddy Dinesh Shrikant , Nagarajaiah Honnappa , Naik Lohit , Savanur Hemantkumar Mohanchand , Shilpa Choradi Devendrappa , Sunitha Kumari Mayanna , Shanavaz Hamzad , Padmashali Basavaraj 
Published: May 2023

AbstractNew imidazopyridine–chalcone analogs were synthesized through the Claisen–Schmidt condensation reaction. The newly synthesized imidazopyridine‐chalcones (S1–S12) were characterized using spectroscopic and elemental analysis. The structures of compounds S2 and S5 were confirmed by X‐ray crystallography. The global chemical reactivity descriptor parameter was calculated using theoretically (DFT‐B3LYP‐3‐211, G) estimated highest occupied molecular orbital and lowest unoccupied molecular orbital values and the results are discussed. Compounds S1–S12 were screened on A‐549 (lung carcinoma epithelial cells) and MDA‐MB‐231 (M.D. Anderson‐Metastatic Breast 231) cancer cell lines. Compounds S6 and S12 displayed exceptional antiproliferative activity against lung A‐549 cancer cells with IC50 values of 4.22 and 6.89 µM, respectively, compared to the standard drug doxorubicin (IC50 = 3.79 μM). In the case of the MDA‐MB‐231 cell line, S1 and S6 exhibited exceptionally superior antiproliferative activity with IC50 of 5.22 and 6.50 μM, respectively, compared to doxorubicin (IC50 = 5.48 μM). S1 was found to be more active than doxorubicin. Compounds S1–S12 were tested for their cytotoxicity on human embryonic kidney 293 cells, which confirmed the nontoxic nature of the active compounds. Further molecular docking studies verified that compounds S1–S12 have a higher docking score and interacted well with the target protein. The most active compound S1 interacted well with the target protein carbonic anhydrase II in complex with pyrimidine‐based inhibitor, and S6 with human Topo IIα ATPase/AMP‐PNP. The results suggest that imidazopyridine‐chalcone analogs may serve as new leads as anticancer agents.
Chaos, expansion, and contraction: The information worlds of depression patients during theCOVID‐19 pandemic lockdown
Authors: Bao Xin , Ke Ping 
Published: May 2023

AbstractAlthough there have been several studies of people's information behaviors during the COVID‐19 epidemic, the information practices of a specific group of people—those with depression—have been neglected. This study reports on qualitative interviews with 24 participants to explore the information practices of people living with depression during the pandemic lockdown. We use the theory of information worlds and the concept of transition to understand the phases of chaos, expansion, and contraction that the information worlds of this group present during the lockdown, and examine the interrelationship between the information worlds and the individual's transition experiences during specific periods. Our results show that, first, emotion, body, and embodiment play key roles in the individual's information worlds, while individuals' information practices are regulated by the economic environment, group norms, and other social circumstances. Second, government‐level information, the volunteer community, social media, and nonhuman objects further impact participants' information practices. We suggest that health management strategies need to have different priorities at different stages of the transition, and attention should be paid to the provision of emotional information support systems during the pandemic lockdown.
Outcomes of robotic modified Freyer's prostatectomy in an Australian patient cohort
Authors: Okullo Alfin , Saad Jeremy , Ashrafi Darius , Bagheri Nasser , Haxhimolla Hodo 
Published: May 2023

AbstractIntroductionThe study aims to demonstrate the feasibility, safety and efficacy of robotic simple prostatectomy (RSP) using the modified Freyer's approach in an Australian patient cohort. Although RSP is performed in several Australian centres, there is a paucity of published Australian data.MethodsWe reviewed prospectively collected perioperative and outcomes data for patients who underwent a robotic modified Freyer's prostatectomy (RMFP) from June 2019 to March 2022. Statistics were completed using SPSS statistics v27.0 and reported as mean and range with a p value of <0.05 considered statistically significant.ResultsThere were 27 patients who underwent RMFP over the study period with a mean age of 67 years and prostate volume of 159.74 cc (100–275). The mean console time was 168 min (122–211), blood loss of 233 ml (50–600) and average length of hospital stay of 3.8 days (3–8). The preoperative versus postoperative outcome means were as follows: serum prostate‐specific antigen was 9.69 versus 1.2 ng/mL, IPPS score was 17.1 versus 1.25, quality of life (QOL) score 3.4 versus 0.4, postvoid residual volume: 223.6 versus 55.9 ml, Q‐max 7.86 versus 29.6 ml/s. These were all statistically significant (p < 0.001). The mean weight of resected tissue was 74 g (43–206) with 25 patients having benign histopathology and two being diagnosed with prostate cancer (Gleason 3 + 3 = 6 and 3 + 4 = 7). No patients returned to theatre or required a blood transfusion.ConclusionsData from our patient cohort demonstrate the feasibility, safety and efficacy of RMFP for benign prostatic hyperplasia in an Australian patient cohort. Our outcomes compare favourably with published studies on RSP.
Effects of video self‐modeling on the preference and reinforcer value of toys for children diagnosed with autism spectrum disorder
Authors: Livingston Cynthia , Samaha Andrew , Hranchuk Kieva , DePaolo Karie 
Published: May 2023

AbstractA primary characteristic of autism spectrum disorder includes restrictive and repetitive patterns of behavior. Because having few preferred items and activities can lead to social, communicative, and educational barriers, it is important to increase the number of preferred stimuli in the individual's environment. One way to do this is through conditioned reinforcement via observation. Such procedures involve the acquisition of a skill or change in behavior as a result of indirect contact (i.e., observation) with contingencies received by others. While conditioning through observation has been shown to be effective, one novel approach is video self‐modeling. The purpose of the current study was to assess the effects of video self‐modeling on the preference and reinforcer value of toys for children diagnosed with autism spectrum disorder.
Characterisation of the E. coli HMS174 and BLR host cell proteome to guide purification process development
Authors: Disela Roxana , Bussy Olivier Le , Geldhof Geoffroy , Pabst Martin , Ottens Marcel 
Published: May 2023

AbstractMass‐spectrometry‐based proteomics is increasingly employed to monitor purification processes or to detect critical host cell proteins in the final drug substance. This approach is inherently unbiased and can be used to identify individual host cell proteins without prior knowledge. In process development for the purification of new biopharmaceuticals, such as protein subunit vaccines, a broader knowledge of the host cell proteome could promote a more rational process design. Proteomics can establish qualitative and quantitative information on the complete host cell proteome before purification (i.e., protein abundances and physicochemical properties). Such information allows for a more rational design of the purification strategy and accelerates purification process development. In this study, we present an extensive proteomic characterisation of two E. coli host cell strains widely employed in academia and industry to produce therapeutic proteins, BLR and HMS174. The established database contains the observed abundance of each identified protein, information relating to their hydrophobicity, the isoelectric point, molecular weight, and toxicity. These physicochemical properties were plotted on proteome property maps to showcase the selection of suitable purification strategies. Furthermore, sequence alignment allowed integration of subunit information and occurrences of post‐translational modifications from the well‐studied E. coli K12 strain.
Purification processes of live virus vaccine candidates expressed in adherent Vero cell lines via multimodal chromatography in flowthrough mode
Authors: Konstantinidis Spyridon , Poplyk Murphy R. , Ma Wanli (Justin) , Reilly Devan , Zhang Young , Wang Jamin , Thompson Rachel , Stiving Alyssa , Winters Michael A. , Wang Sheng‐Ching , Kristopeit Adam 
Published: May 2023

AbstractLive virus vaccine (LVV) purification, employing chromatography, can be challenged by low binding capacities and elution yields. Alternatively, processes relying solely on enzymatic digestion steps and size‐based membrane separations can be limited by suboptimal reduction of process related impurities and poorly scalable unit operations. Here, we demonstrate that the combination of flowthrough mode chromatography and an ultrafiltration/diafiltration (UF/DF) unit operation delivers a purification process for two different LVV candidates, V590 and Measles, expressed in adherent Vero cells. For V590, chromatography with mixed mode cation exchange resins returned final product yields of ∼50% and logarithmic reduction values (LRVs) of 1.7–>3.4 and 2.5–3.0 for host cell DNA (hcDNA) and host cell proteins (HCPs), respectively. For Measles, chromatography with mixed mode anion exchange resins returned final product yields of ∼50% and LRVs of 1.6 and 2.2 for hcDNA and HCPs, respectively. For both V590 and Measles processing, the employed resins cleared a key HCP, fibronectin, which could foul the UF/DF unit operation, and thusly enabling it to further reduce HCPs and to formulate the final LVV products. This integrated purification process utilizes the complementary action of the two unit operations and its applicability across LVVs supports its consideration for their processing.
Efficient and precise control of gene expression in Geobacter sulfurreducens through new genetic elements and tools for pollutant conversion
Authors: Liu Jia‐Qi , Min Di , He Ru‐Li , Cheng Zhou‐Hua , Wu Jie , Liu Dong‐Feng 
Published: May 2023

AbstractGeobacter species, exhibiting exceptional extracellular electron transfer aptitude, hold great potential for applications in pollution remediation, bioenergy production, and natural elemental cycles. Nonetheless, a scarcity of well‐characterized genetic elements and gene expression tools constrains the effective and precise fine‐tuning of gene expression in Geobacter species, thereby limiting their applications. Here, we examined a suite of genetic elements and developed a new genetic editing tool in Geobacter sulfurreducens to enhance their pollutant conversion capacity. First, the performances of the widely used inducible promoters, constitutive promoters, and ribosomal binding sites (RBSs) elements in G. sulfurreducens were quantitatively evaluated. Also, six native promoters with superior expression levels than constitutive promoters were identified on the genome of G. sulfurreducens. Employing the characterized genetic elements, the clustered regularly interspaced short palindromic repeats interference (CRISPRi) system was constructed in G. sulfurreducens to achieve the repression of an essential gene‐aroK and morphogenic genes‐ftsZ and mreB. Finally, applying the engineered strain to the reduction of tungsten trioxide (WO3), methyl orange (MO), and Cr(VI), We found that morphological elongation through ftsZ repression amplified the extracellular electron transfer proficiency of G. sulfurreducens and facilitated its contaminant transformation efficiency. These new systems provide rapid, versatile, and scalable tools poised to expedite advancements in Geobacter genomic engineering to favor environmental and other biotechnological applications.
Different patterns of spreading direction and motor neurons involvement in a cohort of limb‐onset amyotrophic lateral sclerosis patients from Southern Italy: Potential implication on disease course or progression?
Authors: Milella Giammarco , Zoccolella Stefano , Urso Daniele , Nigro Salvatore , Tamburrino Ludovica , Gnoni Valentina , Filardi Marco , Logroscino Giancarlo 
Published: May 2023

AbstractBackgroundCurrently, there is a lack of knowledge concerning where the pathological process starts and how the neurodegeneration spreads during the course of amyotrophic lateral sclerosis (ALS).AimsThis study aims to evaluate the spreading direction of the disease and the corresponding clinical characteristics in a cohort of patients with limb‐onset ALS.Patients and methodsConsecutive incident ALS patients referring to an ALS tertiary center from Southern Italy, between 2015 and 2021, were recruited in the study. According to the initial directions of spread, patients were dichotomized into horizontal spreading pattern (HSP) or vertical spreading pattern (VSP) groups.ResultsAmong 137 newly diagnosed ALS, 87 presented a spinal onset. Ten patients with pure LMN were not included in the study. All cases reported a clear spread direction. The frequency of HSP and VSP spreading was similar overall (47 vs. 30). The prevalence of HSP was higher (74% vs. 50%) in patients with upper limb‐onset (UL‐ALS), compared to patients with lower limb‐onset (LL‐ALS; p < .05). Conversely, the occurrence of VSP spread was threefold higher in patients with LL‐ALS, compared to UL‐ALS (p < .05). Patients with VSP showed a wider upper motor neuron impairment, whereas the involvement of LMN resulted greater in patients with HSP. Patients with HSP exhibited a greater drop of ALSFRS‐r sub‐score in the region of onset, while VSP showed a slighter but more diffuse reduction of ASLFRS‐r subscore in more body districts beyond the site of onset. Patients with VSP were also characterized by a higher median progression rate and an earlier median bulbar involvement, compared to HSP.ConclusionsOur findings suggested investigating the spreading direction of ALS among patients with spinal onset, to better delineate the clinical profiles of patients with ALS, and predict an earlier impairment of bulbar muscle and a more rapid progression of the disease
Downregulation of TRPM7, TRPM8, and TRPV1 channels modulate apoptotic parameters and neurodegenerative markers: Focus on neuronal differentiation and Parkinson's disease model
Authors: Öz Ahmi , Çelik Ömer 
Published: May 2023

AbstractThe transient receptor potential channel (TRP) channels are expressed in neuronal tissues and involved in neurological diseases such as pain, epilepsy, neuronal apoptosis, and neurodegenerative diseases. Formerly, we have investigated how neuronal differentiation changes TRP channels expression profile and how Parkinson's disease model is related with this expression levels. We have found that transient receptor potential channel melastatin subtype 7 (TRPM7), transient receptor potential channel melastatin subtype 8 and transient receptor potential channel vanilloid subtype 1 (TRPV1) channels have pivotal effects on differentiation and 1‐Methyl‐4‐phenylpyridinium (MPP+)‐induced Parkinson's disease model in SH‐SY5Y cells. In this study, we have investigated that downregulation of the TRP channels to evaluate how differentiation status changes to Parkinson's disease pathological hallmarks. We have also performed to other analyses to elucidate these TRP channels' function in MPP+‐induced neurotoxicity related apoptosis, cell viability, caspase 3 and 9 enzyme activities, intracellular reactive oxygen species production, mitochondrial depolarization levels, Ca2+ signaling, Alpha‐synuclein and Dopamine levels, mono amino oxidase A and B enzymatic activities, both in differentiated and undifferentiated neuronal cells. Herein we have concluded that especially TRPM7 and TRPV1 channels have distinct role in Parkinson's disease pathology via their activity changings in pathological state, and downregulation of these channels or specific antagonists can be useful for the possible treatment strategy for Parkinson's disease and related markers.
Circular RNA hsa_circ_0005239 contributes to hepatocellular carcinoma cell migration, invasion, and angiogenesis by targeting the miR‐34a‐5p/PD‐L1 axis
Authors: He Tingting , Huang Jintao , Liang Hansi , Zhong Binyan , Xu Guili , Zhu Xiaoli 
Published: May 2023

AbstractCircular RNAs (circRNAs) may be involved in tumorigenesis. Recently, the role of circRNAs in hepatocellular carcinoma (HCC) has drawn wide attention. Herein, we aimed to explore the regulation and function of hsa_circ_0005239 in the malignant biological behavior and angiogenesis of HCC, as well as the link between hsa_circ_0005239 and programmed cell death ligand 1 (PD‐L1) in HCC. Quantitative real‐time polymerase chain reaction (qRT‐PCR) assays revealed that hsa_circ_0005239 was upregulated in HCC tumor samples and cell lines. Furthermore, a series of in vitro and in vivo assays explored the effects of hsa_circ_0005239 on biological processes involved in the development of HCC. Knockdown of hsa_circ_0005239 significantly inhibited cell migration, cell invasion, and angiogenesis in HCC, while overexpression showed the opposite effect. In the in vivo assays, hsa_circ_0005239 downregulation suppressed the growth of xenograft tumors in nude mice, which supported that hsa_circ_0005239 is a tumor promoter in HCC. Mechanistically, hsa_circ_0005239 binds to miR‐34a‐5p and functions as a competing endogenous RNA to modulate the expression of PD‐L1. Further experiments revealed that the hsa_circ_0005239/PD‐L1 axis regulates the malignant phenotypes of HCC cells through the phosphoinositide‐3 kinase/protein kinase B (PI3K/Akt) signaling pathway. These results revealed the role of hsa_circ_0005239 and the hsa_circ_0005239/miR‐34a‐5p/PD‐L1 axis in HCC, providing a potential diagnostic biomarker and therapeutic target for HCC.