bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of high‐density polyethylene/montmorillonite nanocomposites with high gas barrier by micro‐nano torsional laminated extrusion
Authors: Ma Yitao , Yang Jianing , Wang Xiulei , Tian Mingming , Yang Weimin , Xie Pengcheng 
Published: August 2023

AbstractHigh‐density polyethylene (HDPE) is a popular material for use in medical, packaging, and construction applications due to its low cost and good processing characteristics. Its chemical stability and resistance make it particularly suitable for use in storage tanks for chemicals and gases. However, its low gas barrier properties and limited strength have hindered its widespread use in such applications. This study puts forward a novel approach, micro‐nano torsional laminated extrusion (MNTLE), for preparing HDPE/montmorillonite (MMT) nanocomposites with improved mechanical and gas barrier properties. The MNTLE method yields a more uniform of fillers in the composites, which leads to greater mechanical strength (a 46.18% increase in tensile strength and a 27.37% rise in elongation break), along with a higher crystallinity (a 16.27% increase) compared to compression molding. Moreover, the improved dispersion and orientation of the Nano‐MMT in composites fabricated by MNTLE lead to a 41.9% reduction in oxygen permeability compared to press‐molded composites. Consequently, this study introduces an innovative processing method that enhances the mechanical and gas barrier characteristics of the material, thus offering potential applications in the manufacturing of lining materials for Type IV hydrogen storage tanks.Highlights
The MNTLE method is used to process composites.
The MNTLE significantly improves the dispersibility of the filler.
Mechanical properties of composites processed by MNTLE are enhanced.
The crystallinity of the reinforced composite increased by 16.27%.
The oxygen permeability of the composite prepared by MNTLE is reduced.
GeLC‐FAIMS‐MS workflow for in‐depth middle‐down proteomics
Authors: Takemori Ayako , Kaulich Philipp T. , Konno Ryo , Kawashima Yusuke , Hamazaki Yuto , Hoshino Ayuko , Tholey Andreas , Takemori Nobuaki 
Published: August 2023

AbstractMiddle‐down proteomics (MDP) is an analytical approach in which protein samples are digested with proteases such as Glu‐C to generate large peptides (>3 kDa) that are analyzed by mass spectrometry (MS). This method is useful for characterizing high‐molecular‐weight proteins that are difficult to detect by top‐down proteomics (TDP), in which intact proteins are analyzed by MS. In this study, we applied GeLC‐FAIMS‐MS, a multidimensional separation workflow that combines gel‐based prefractionation with LC‐FAIMS MS, for deep MDP. Middle‐down peptides generated by optimized limited Glu‐C digestion conditions were first size‐fractionated by polyacrylamide gel electrophoresis, followed by C4 reversed‐phase liquid chromatography separation and additional ion mobility fractionation, resulting in a significant increase in peptide length detectable by MS. In addition to global analysis, the GeLC‐FAIMS‐MS concept can also be applied to targeted MDP, where only proteins in the desired molecular weight range are gel‐fractionated and their Glu‐C digestion products are analyzed, as demonstrated by targeted analysis of integrins in exosomes. In‐depth MDP achieved by global and targeted GeLC‐FAIMS‐MS supports the exploration of proteoform information not covered by conventional TDP by increasing the number of detectable protein groups or post‐translational modifications (PTMs) and improving the sequence coverage.
IU1 and enzalutamide combination yields synergistic effects on castration‐resistant prostate cancer
Authors: Zhang Yifan , Liao Yuanpeng , Luo Mayao , Ye Yuedian , Xu Zhuofan , Hou Wenli , Liu Ruiyu , Zhai Qiliang , Lv Shidong , Wei Qiang 
Published: August 2023

AbstractBackgroundAndrogen deprivation therapy (ADT) is one of the main treatment modalities for prostate cancer (PCa); however, almost all patients treated with ADT eventually progress into castration‐resistant PCa (CRPC). Although second‐generation androgen receptor (AR) antagonists, such as enzalutamide, have been approved for CRPC treatment, AR signaling in CRPC cells is reactivated through multiple mechanisms, resulting in resistance to treatment and tumor progression with a very poor prognosis. The present study aimed to explore the anticancer effect of a treatment combining AR antagonist enzalutamide with AR degrader IU1 on PCa cells.MethodsThe joint effects of enzalutamide and IU1 on PCa cell proliferation and apoptosis and associated cell signaling were evaluated in vitro. Mechanistically, the ubiquitination level and half‐life of AR were examined under the combination treatment. The binding of IU1 and enzalutamide to AR was further verified using cellular thermal shift analysis and isothermal dose–response curve fingerprinting.ResultsThe combination of IU1 and three AR antagonists showed synergistic effects in different prostate cell lines. IU1 and enzalutamide synergistically promoted the degradation of AR and AR‐V7 proteins, as well as suppressed the expression levels of AR and AR‐V7 downstream target genes at the transcriptional and protein levels. The combination also synergistically blocked the PCa cell cycle and promoted apoptosis in PCa cell lines. Mechanistically, the combination promoted increased levels of AR ubiquitination. In CRPC cell lines and in the presence of increased androgen concentrations, enzalutamide was still able to bind AR competitively with androgens, reducing the stability of AR and thus promoting the degradation effect of IU1 on AR, synergistically producing an inhibitory effect on PCa cells.ConclusionTaken together, our findings suggest that the combination of AR degrader and enzalutamide potentially represents a new therapeutic strategy for CRPC.
Improved multimer prediction using massive sampling with AlphaFold in CASP15
Authors: Wallner Björn 
Published: August 2023

AbstractAlphaFold2 has revolutionized structure prediction by achieving high accuracy comparable to experimentally determined structures. However, there is still room for improvement, especially for challenging cases like multimers. A key to the success of AlphaFold is its ability to assess and rank its own predictions. Our basic idea for the Wallner group in CASP15 was to exploit this excellent scoring function in AlphaFold by massive sampling. To achieve this goal, we conducted AlphaFold runs using six different settings, using templates, without templates, and with an increased number of recycles for both multimer v1 and v2 weights. In all instances, we enabled dropout layers during inference, allowing for sampling of uncertainty and enhancing the diversity of the generated models. In total, 274 289 models were generated for the 38 targets in CASP15, with a median of 4810 models per target. Of these 38 targets, 10 were high quality, 11 were medium quality, 11 were acceptable, and only 6 were incorrect. The improvement over the baseline method, NBIS‐AF2‐multimer, is substantial, with the mean DockQ increasing from 0.43 to 0.56, with several targets showing a DockQ score increase of +0.6 units. Remarkable, considering Wallner and NBIS‐AF2‐multimer were using identical input data. The success can be attributed to the diversified sampling using dropout with different settings and, in particular, the use of multimer v1, which is much more susceptible to sampling compared with v2. The method is available here: http://wallnerlab.org/AFsample/.
Discovery of novel salicylaldehyde derivatives incorporating an α‐methylene‐γ‐butyrolactone moiety as fungicidal agents
Authors: He Hong‐Wei , Xu Dan , Wu Ke‐Huan , Lu Zheng‐Yi , Liu Xili , Xu Gong 
Published: August 2023

AbstractBACKGROUNDPlant diseases caused by phytopathogenic fungi and oomycetes pose a serious threat to ensuring crop yield and quality. Finding novel fungicidal candidates based on natural products is one of the critical methods for developing effective and environmentally friendly pesticides. In this study, a series of salicylaldehyde derivatives containing an α‐methylene‐γ‐butyrolactone moiety were designed, synthesized, and their fungicidal activities were evaluated.RESULTSThe bioassay studies indicated that compound C3 displayed an excellent in vitro activity against Rhizoctonia solani with a half‐maximal effective concentration (EC50) value of 0.65 μg/mL, higher than that of pyraclostrobin (EC50 = 1.44 μg/mL) and comparable to that of carbendazim (EC50 = 0.33 μg/mL). For Valsa mali and Phytophthora capsici, compound C3 also showed good fungicidal activities with EC50 values of 0.91 and 1.33 μg/mL, respectively. In addition, compound C3 exhibited promising protective in vivo activity against R. solani (84.1%) at 100 μg/mL, which was better than that of pyraclostrobin (78.4%). The pot experiment displayed that compound C3 had 74.8% protective efficacy against R. solani at 200 μg/mL, which was comparable to that of validamycin (78.2%). The antifungal mode of action research indicated that compound C3 could change the mycelial morphology and ultrastructure, increase cell membrane permeability, affect respiratory metabolism by binding to complex III, and inhibit the germination and formation of sclerotia, thereby effectively controlling the disease.CONCLUSIONThe present study provides support for the application of these salicylaldehyde derivatives as promising potential pesticides with remarkable and broad‐spectrum fungicidal activities against phytopathogenic fungi and oomycetes in crop protection. © 2023 Society of Chemical Industry.
Places and mechanisms of belonging and exclusion: Intra‐EU academic migration in a comparative perspective
Authors: Schäfer Gregor , Schittenhelm Karin , El Dali Yasmin 
Published: August 2023

AbstractIntra‐EU doctoral migrants are doubly privileged: as EU citizens they enjoy free movement rights and as academics their intra‐EU mobility is promoted by the EU's measures to establish a European Research Area. This paper takes a closer look at these favourable conditions by examining intra‐EU mobile doctoral academics in different places. To understand the experiences of migrating into academic spheres abroad and being on the threshold of entering the academic workforce, our theoretical approach brings together theories of distinctive practices resulting in exclusion and theories of belonging. We consider the knowledge resources, including language abilities, that are required for the doctoral migrants' inclusion in the academic workforce abroad by using a comparative view on places. Our empirical analysis focuses on graduates in the social sciences and humanities who moved from Germany to France or the Netherlands during their educational trajectories. Suggesting a place‐based comparative approach, we contribute to the debates about barriers to intra‐EU academic migration. We explain (i) place‐specific obstacles due to differing understandings of ‘appropriate’ knowledge and language abilities in higher education that affect social and academic life and (ii) how these barriers result in the doctoral migrants being in‐ and excluded in academic environments abroad.
Evolution and optimization of clinical trial endpoints and design in pulmonary arterial hypertension
Authors: Caccamo Marco , Harrell Frank E. , Hemnes Anna R. 
Published: August 2023

AbstractSelection of endpoints for clinical trials in pulmonary arterial hypertension (PAH) is challenging because of the small numbers of patients and the changing expectations of patients, clinicians, and regulators in this evolving therapy area. The most commonly used primary endpoint in PAH trials has been 6‐min walk distance (6MWD), leading to the approval of several targeted therapies. However, single surrogate endpoints such as 6MWD or hemodynamic parameters may not correlate with clinical outcomes. Composite endpoints of clinical worsening have been developed to reflect patients' overall condition more accurately, although there is no standard definition of worsening. Recently there has been a shift to composite endpoints assessing clinical improvement, and risk scores developed from registry data are increasingly being used. Biomarkers are another area of interest, although brain natriuretic peptide and its N‐terminal prohormone are the only markers used for risk assessment or as endpoints in PAH. A range of other genetic, metabolic, and immunologic markers is currently under investigation, along with conventional and novel imaging modalities. Patient‐reported outcomes are an increasingly important part of evaluating new therapies, and several PAH‐specific tools are now available. In the future, alternative statistical techniques and trial designs, such as patient enrichment strategies, will play a role in evaluating PAH‐targeted therapies. In addition, modern sequencing techniques, imaging analyses, and high‐dimensional statistical modeling/machine learning may reveal novel markers that can play a role in the diagnosis and monitoring of PAH.
An extensive screening method for the identification and quantitation of ecdysteroids in equine urine and plasma using liquid chromatography coupled with mass spectrometry
Authors: Karatt Tajudheen K. , Sathiq M. Anwar , Laya Saraswathy , Ajeebsanu M. P. Muhammed , Karakka Kal Abdul Khader , Subhahar Michael Benedict , Perwad Zubair 
Published: August 2023

RationaleRecently, there has been a report suggesting that ecdysteroids can enhance sports performance, making them relevant substances in doping control. Hence, it is imperative to examine the analytical characteristics of ecdysteroids in biological samples to identify their misuse in competitive sports.MethodsTo assess the doping of ecdysteroids such as ecdysone, ecdysterone, ponasterone A, turkesterone, and ajugasterone C, a fast and sensitive extraction and detection method was developed, optimized, and validated using equine urine and plasma. Different extraction techniques, namely, solid‐phase extraction, liquid–liquid extraction, and dilute‐and‐inject, were explored to detect ecdysteroids from equine urine and plasma.ResultsThe most suitable method of detection was solid‐phase extraction using ABS Elut‐NEXUS, while liquid–liquid extraction and dilute‐and‐inject methods encountered difficulties due to the high polarity of ecdysteroids and the presence of significant matrix interferences. Mass spectrometric parameters are optimized on both the Q Exactive high‐resolution mass spectrometer and the TSQ Altis triple quadrupole mass spectrometer. However, the study indicated that the triple quadrupole mass spectrometer exhibited improved limit of detection when analyzing samples. To achieve optimal separation of the analytes under investigation from the matrix interferences, various liquid chromatography columns were compared. The Selectra PFPP LC column with a mobile phase consisting of 0.2% formic acid in water (mobile phase A) and acetonitrile (mobile phase B) at a flow rate of 0.5 mL/min demonstrated superior performance.ConclusionsThe findings of this study will significantly contribute to the accurate identification of ecdysteroids, facilitating the investigation of their illicit use in horse racing.
A sustainable system for decontamination of cephalexin antibiotic using electrocoagulation technology and response surface methodology
Authors: Arab Maliheh , Danesh Shahnaz 
Published: August 2023

AbstractThe emergence of synthetic micropollutants in wastewater due to domestic and industrial use has presented new challenges for treatment processes. Among these pollutants, pharmaceutical and personal care products (PPCPs) are considered emerging contaminants due to their potential to enter drinking water sources. Antibiotics, in particular, are of significant concern due to their high consumption in veterinary and human applications. In this study, the electrocoagulation (EC) process is used as an efficient technique for the removal of cephalexin (CFX) from pharmaceutical wastewater. The study aims to explore the ability of the EC process to remove CFX and optimize its performance using the response surface method based on Central Composite Design (RSM‐CCD). The effects of initial CFX concentration, electrolysis time, initial pH, and electrode type (non‐insulated and insulated) were considered in the optimization process. This research is distinct as it examines the influence of key factors on the elimination of CFX. The results showed that electrolysis time had the most significant effect on CFX removal using the EC process. The analysis of variance (ANOVA) test was used to evaluate the importance of independent variables and their interaction. The optimal operating conditions for maximum removal efficiency (86.53%) were an initial CFX concentration, reaction time, and initial pH of 34 mg/L, 34.35 min, and 6.5, respectively, using an insulated electrode. Under these optimal conditions, predicted CFX removal was 93.54%. These findings demonstrate that RSM‐CCD is a useful tool for optimizing electrochemical removal processes for micropollutants such as CFX from wastewater streams. The study highlights the importance of considering electrode type in optimizing EC processes for micropollutant removal from wastewater.
Integrating density functional theory into reductive dechlorination research
Authors: Das Schober Jaya , Kurwadkar Sudarshan , Harper Willie F. 
Published: August 2023

AbstractChlorinated organics have been frequently detected in groundwaters, threatening the quality of drinking water supplies worldwide. A promising method for groundwater remediation involves reductive dechlorination (RD), in which chlorine atoms are sequentially removed and substituted by hydrogen, producing less harmful byproducts. In this paper, for the first time, RD research is reviewed in light of the growing incorporation of density functional theory (DFT) as a research tool. DFT has been used to uncover a variety of reaction properties for a range of relevant groundwater pollutants, including 1,2,3‐trichloropropane, hexachlorobenzene, and various dioxins. DFT models have revealed the role of surface interactions in driving the kinetics of catalytically driven RD. Mechanisms involved with biologically mediated RD have also been elucidated with insights gleaned from DFT. Issues and challenges for future research are also discussed.
Effects of drought on the physicochemical, nutrient, and carbon metrics of flows in the Savannah River, Georgia, USA
Authors: Wilbanks Kelsey A. , Sutter Lori A. , Amurao Jillian M. , Batzer Darold P. 
Published: August 2023

AbstractHydrological drought has wide‐ranging impacts on water quality, nutrient and carbon metrics, and given the uncertainty of climate change and the predicted increased frequency and intensity of drought in the future, investigations into changes induced by drought become increasingly important. This study compared physicochemical parameters (temperature, conductivity, pH and DO), nutrients (TN, NOX [NO2 + NO3], NH3 and TP) and carbon (TOC and DOC) between hydrological drought conditions (2006–2008) and hydrological normal conditions (2016–2019) at five sites along the lower Savannah River (Georgia, USA). Although we had predicted that water temperatures would increase from drought, we instead found temperature was significantly lower during drought conditions. Levels of pH and DO were significantly higher during drought. Further, TN, TOC and DOC concentrations were significantly lower during drought, but NOX concentrations were significantly higher during drought. Conductivity varied at the lower river sites, being significantly higher during drought at sites located below the city of Augusta, GA. These complex changes could be attributed to volume reductions coupled with an increase in the percentage of total flow originating from groundwater as well as limnetic reservoir inputs, persistent point source pollution, reduced natural catchment inputs and/or reduced floodplain interactions. The changes that occurred during drought may be disruptive to aquatic life, not only from reduced water quantity but also due to a scarcity of some biologically essential materials and lower food resources, combined with artificially high levels of some other potentially stressful materials.
Posttraumatic growth and health‐related quality of life in cancer survivors: Does fatigue moderate the link?
Authors: Onyedibe Maria‐Chidi C. , Blickle Patricia , Schmidt Martina E. , Steindorf Karen 
Published: August 2023

AbstractInterest in post‐traumatic growth (PTG) as a predictor of health‐related quality of life (HRQoL) is currently gaining attention. However, current evidence is still inconclusive on the nature of this relationship. The first objective of this study was to investigate the relationship between PTG and global HRQoL among cancer survivors. We further investigated the moderating role of fatigue in the association between PTG and global HRQoL. In the FiX study (Fatigue in Germany ‐ Examination of prevalence, severity, and state of screening and treatment) cancer‐related fatigue (EORTC QLQ‐FA12), PTG inventory and global HRQoL (EORTC QLQ‐C30) were assessed four years after cancer diagnosis in 1316 cancer‐free survivors (mean age = 67.28, SD = 11.05, 51.4% female). Multiple linear regression analysis and moderation analysis were performed. The results showed that PTG had a convex quadratic relationship with global HRQoL (p < 0.001). Contrary to our hypothesis, fatigue did not moderate the relationship between PTG (linear and quadratic terms) and global HRQoL, neither when considering the overall PTG score nor for any PTG subdimension. In conclusion, PTG has a convex quadratic relationship with long‐term global HRQoL that was not modified by persisting fatigue. Future statistical models investigating PTG and global HRQoL should take this non‐linear relationship into account. Aiming to increase PTG might contribute to, but is likely not sufficient for high levels of global HRQoL in cancer survivors in the long run.
Massively Parallel High‐Throughput Single‐Cell Patterning and Large Biomolecular Delivery in Mammalian Cells Using Light Pulses
Authors: R Gayathri , Kar Srabani , Nagai Moeto , Mahapatra Pallab Sinha , Santra Tuhin Subhra 
Published: August 2023

AbstractThe recent advancements of single‐cell analysis have significantly enhanced the ability to understand cellular physiology when compared to bulk cellular analysis. Here a massively parallel single‐cell patterning and very large biomolecular delivery is reported. Micro‐pillar polydimethyl siloxane stamp with different diameters (40–100 µm with 1 cm × 1 cm patterning area) is fabricated and then imprint distinct proteins and finally pattern single‐cell to small clusters of cells depending on the micro‐pillar diameters. The maximum patterning efficiency is achieved 99.7% for SiHa, 96.75% for L929, and 98.6% for MG63 cells, for the 100 µm micro‐pillar stamp. For intracellular delivery of biomolecules into the patterned cells, a titanium micro‐dish device is aligned on top of the cells and exposed by infrared light pulses. The platform successfully delivers small to very large biomolecules such as PI dyes (668 Da), dextran 3000 Da, siRNA (20‐24 bp), and large size enzymes (464 KDa) in SiHa, L929 and MG63 cells. The delivery efficiency for PI dye, Dextran 3000, siRNA, and enzyme for patterned cells are ≈95 ± 3%, 97 ± 1%, 96 ± 1% and 94 ± 3%, with cell viability of 98 ± 1%. Thus, the platform is compact, robust, easy for printing, and potentially applicable for single‐cell therapy and diagnostics.