bluuebunny/crossref_metadata_2025_split huggingface dataset:
A comparison of fabrication routes and property evaluation methods for bio‐particulate filled glass‐epoxy composites
Authors: Batha Gowtham , Mahapatra Sourav Kumar , Satapathy Alok 
Published: July 2024

AbstractThis research work aims to investigate the effect of fabrication techniques on the physico‐mechanical properties of pistachio shell (PS) filled glass‐epoxy composites and to compare the experimental findings with numerical simulation results using finite element analysis (FEM). These hybrid composites are fabricated by vacuum‐assisted resin transfer molding (VARTM) and hand layup (HL) techniques with fixed glass fiber fraction (20 wt. %) but different PS powder loadings of 0–30 wt. %. The composites are then characterized for physical, compositional, micro‐structural and mechanical properties. The micro‐structural analysis of the filler and composites is performed using electron microscopy and stereo‐microscopy. To identify the phases present in both the raw filler and the composite, an x‐ray diffraction test is performed. The presence of functional groups is identified with the help of Fourier transform infrared spectroscopy (FTIR). It is observed that there is a reasonable improvement in the mechanical properties of the composites with increase in PS powder content, irrespective of the fabrication process used. The density and void fraction are also greatly affected by the amount of filler particles present in the composites and also on the composite fabrication technique. The FEM analysis is also carried out using ANSYS 22.0 workbench to determine the characteristic properties numerically. The comparison of experimental and numerical results yields that the properties obtained by using VARTM results are close to experimental ones with errors lying in the range of 1%–4%. These composites can possibly find potential applications in light duty structures and wear resistant applications.Highlights
Development of hybrid composites using HL and VARTM techniques.
Physical and mechanical properties alter with filler loading.
Evaluation of mechanical properties using finite element analysis.
Validating the model by comparing experimental and numerical results.
Study on surface quality and cell morphology of foamed components fabricated using gas counter‐pressure with core‐back and high‐pressure foam injection molding with core‐back process
Authors: Chiu Chun‐Yang , Yang Sen‐Yeu , Yeh Shu‐Kai 
Published: July 2024

AbstractThe core‐back process has substantially increased the range of applicability of foam injection molding (FIM) by increasing the pressure drop rate and expansion ratio. However, cell nucleation and growth occur concurrently with the flow of the melt/gas mixture during the filling stage, resulting in poor surface quality and a non‐uniform cell structure. This study investigated foam injection molding with gas counter pressure (GCP) and core‐back to produce foamed components, with comparison to high‐pressure FIM with core‐back process. Through this method, the nucleation during filling is suppressed. The surface roughness was improved to 0.987 μm, a 59% reduction compared to high‐pressure injection molding foam with core‐back. In addition, the cell uniformity was improved, measured at two locations near and far from the gate, the cell density reaching 1.7 × 105 and 2.1 × 105 cells/cm3, and cell size measuring 120.88 and 129.57 μm, respectively. GCP also prevented the formation of the bubbles larger than 500 μm at the location far from the gate. Even at the lowest recommended mold temperature, the combination of GCP and core‐back enables the production of high‐quality foamed components with reduced cooling time.Highlights
Preventing the simultaneous occurrence of cell nucleation, growth and melt flow.
Foamed material with high surface quality produced by FIM.
Improving the cell uniformity throughout the foamed component.
Feasibility of GCP technology in conjunction with core‐back process.
MAGPIE: An interactive tool for visualizing and analyzing protein–ligand interactions
Authors: Rodriguez Daniel C. Pineda , Weber Kyle C. , Sundberg Belen , Glasgow Anum 
Published: July 2024

AbstractQuantitative tools to compile and analyze biomolecular interactions among chemically diverse binding partners would improve therapeutic design and aid in studying molecular evolution. Here we present Mapping Areas of Genetic Parsimony In Epitopes (MAGPIE), a publicly available software package for simultaneously visualizing and analyzing thousands of interactions between a single protein or small molecule ligand (the “target”) and all of its protein binding partners (“binders”). MAGPIE generates an interactive three‐dimensional visualization from a set of protein complex structures that share the target ligand, as well as sequence logo‐style amino acid frequency graphs that show all the amino acids from the set of protein binders that interact with user‐defined target ligand positions or chemical groups. MAGPIE highlights all the salt bridge and hydrogen bond interactions made by the target in the visualization and as separate amino acid frequency graphs. Finally, MAGPIE collates the most common target‐binder interactions as a list of “hotspots,” which can be used to analyze trends or guide the de novo design of protein binders. As an example of the utility of the program, we used MAGPIE to probe how different antibody fragments bind a viral antigen; how a common metabolite binds diverse protein partners; and how two ligands bind orthologs of a well‐conserved glycolytic enzyme for a detailed understanding of evolutionarily conserved interactions involved in its activation and inhibition. MAGPIE is implemented in Python 3 and freely available at https://github.com/glasgowlab/MAGPIE, along with sample datasets, usage examples, and helper scripts to prepare input structures.
MRS2 missense variation at Asp216 abrogates inhibitory Mg2+ binding, potentiating cell migration and apoptosis resistance
Authors: Uthayabalan Sukanthathulse , Lake Taylor , Stathopulos Peter B. 
Published: July 2024

AbstractMitochondrial magnesium (Mg2+) is a crucial modulator of protein stability, enzymatic activity, ATP synthesis, and cell death. Mitochondrial RNA splicing protein 2 (MRS2) is the main Mg2+ channel in the inner mitochondrial membrane that mediates influx into the matrix. Recent cryo‐electron microscopy (cryo‐EM) human MRS2 structures exhibit minimal conformational changes at high and low Mg2+, yet the regulation of human MRS2 and orthologues by Mg2+ binding to analogous matrix domains has been well established. Further, a missense variation at D216 has been identified associated with malignant melanoma and MRS2 expression and activity is implicated in gastric cancer. Thus, to gain more mechanistic and functional insight into Mg2+ sensing by the human MRS2 matrix domain and the association with proliferative disease, we assessed the structural, biophysical, and functional effects of a D216Q mutant. We show that the D216Q mutation is sufficient to abrogate Mg2+‐binding and associated conformational changes including increased α‐helicity, stability, and monomerization. Further, we reveal that the MRS2 matrix domains interact with ~μM affinity, which is weakened by up to two orders of magnitude in the presence of Mg2+ for wild‐type but unaffected for D216Q. Finally, we demonstrate the importance of Mg2+ sensing by MRS2 to prevent matrix Mg2+ overload as HeLa cells overexpressing MRS2 show enhanced Mg2+ uptake, cell migration, and resistance to apoptosis while MRS2 D216Q robustly potentiates these cancer phenotypes. Collectively, our findings further define the MRS2 matrix domain as a critical Mg2+ sensor that undergoes conformational and assembly changes upon Mg2+ interactions dependent on D216 to temper matrix Mg2+ overload.
Complete combinatorial mutational enumeration of a protein functional site enables sequence‐landscape mapping and identifies highly‐mutated variants that retain activity
Authors: Colom Mireia Solà , Vučinić Jelena , Adolf‐Bryfogle Jared , Bowman James W. , Verel Sébastien , Moczygemba Isabelle , Schiex Thomas , Simoncini David , Bahl Christopher D. 
Published: July 2024

AbstractUnderstanding how proteins evolve under selective pressure is a longstanding challenge. The immensity of the search space has limited efforts to systematically evaluate the impact of multiple simultaneous mutations, so mutations have typically been assessed individually. However, epistasis, or the way in which mutations interact, prevents accurate prediction of combinatorial mutations based on measurements of individual mutations. Here, we use artificial intelligence to define the entire functional sequence landscape of a protein binding site in silico, and we call this approach Complete Combinatorial Mutational Enumeration (CCME). By leveraging CCME, we are able to construct a comprehensive map of the evolutionary connectivity within this functional sequence landscape. As a proof of concept, we applied CCME to the ACE2 binding site of the SARS‐CoV‐2 spike protein receptor binding domain. We selected representative variants from across the functional sequence landscape for testing in the laboratory. We identified variants that retained functionality to bind ACE2 despite changing over 40% of evaluated residue positions, and the variants now escape binding and neutralization by monoclonal antibodies. This work represents a crucial initial stride toward achieving precise predictions of pathogen evolution, opening avenues for proactive mitigation.
Precursors of summer heat waves in the Eastern Mediterranean
Authors: Garfinkel Chaim I. , Rostkier‐Edelstein Dorita , Morin Efrat , Hochman Assaf , Schwartz Chen , Nirel Ronit 
Published: July 2024

AbstractReanalysis and observational data are used to identify the precursors of summertime heat waves over the Eastern Mediterranean. After compiling a list of heat waves using objective criteria, we identify robust precursors present 7–10 days before the onset of the heat wave, longer than the typical horizon for trustworthy weather forecasts. If these precursors are present, there is a significant warming over the Eastern Mediterranean over the following 10 days that persists for weeks after. These precursors include a weakened Indian monsoon, a strengthened Sahelian monsoon, warm Western/Central Mediterranean sea‐surface temperatures, and a midlatitude low‐pressure system from the west. Further, horizontal temperature advection is the proximate cause of the heat wave in the days before the extreme; in particular, a weakening of the Etesian winds that would otherwise advect relatively cool maritime air inland accounts for around half of the warming. There has been a clear tendency for more heat extremes in recent years. These results have implications for forecasting anomalous summer temperatures in the Eastern Mediterranean, and the framework developed here can also be applied in other regions.
Development and validation of an ultrafast method of quantification of rivaroxaban in human serum using laser diode thermal desorption coupled to triple quadrupole mass spectrometry
Authors: Moreau Mégane , Auger Serge , Picard Pierre , Lacoursière Jean , Segura Pedro A. 
Published: July 2024

RationaleRivaroxaban is an anticoagulant prescribed to patients who are at risk of medical conditions such as deep‐vein thrombosis, pulmonary embolisms, and strokes caused by blood clots. The administration of this drug is monitored to adjust the dosage and evaluate patients' blood concentration. Rapid quantification of this drug in plasma could make it possible to ensure that the dose present in the blood of patients does not represent a danger for the medical intervention to be carried out.MethodsLiquid chromatography–tandem mass spectrometry is usually employed to quantify rivaroxaban in blood, plasma, and serum. Here, an alternative method of analysis based on laser diode thermal desorption–triple quadrupole mass spectrometry (LDTD‐QqQMS) was developed and comprehensively validated. This new method allows the quantification of rivaroxaban in less than 13 s from sample to sample. The extraction of rivaroxaban in human serum was done by a salting‐out liquid–liquid extraction with acetonitrile and a saturated sodium chloride solution.ResultsThe proposed method allows the quantification of rivaroxaban in less than 13 s from sample to sample. During validation, all criteria were respected. The accuracy was <15% of the nominal value, the precision was <15%CV, and the recovery was ≥89.9%. There were no observed carryover or matrix effects. Analysis of the extracted samples established the stability of dry (24 h) and wet samples (1 week) when samples cannot be analyzed immediately, a considerable advantage in a clinical setting.ConclusionsThis method improves sample throughput by more than 1200% compared to liquid chromatography–tandem mass spectrometry methods of analysis of rivaroxaban and decreases analysis costs by reducing solvent consumption and instrument time.
Test accuracy of rapid diagnostic tests and reverse‐transcription polymerase chain reaction against virus isolation in cell culture for assessing SARS‐CoV‐2 infectivity: Systematic review and meta‐analysis
Authors: Fomenko Alexey , Dähne Theo , Weibel Stephanie , Panning Marcus , Grummich Kathrin , Schlesinger Sabrina , Rücker Gerta , Hengel Hartmut 
Published: July 2024

AbstractWe aimed to assess the performance of Ag‐RDT and RT‐qPCR with regard to detecting infectious SARS‐CoV‐2 in cell cultures, as their diagnostic test accuracy (DTA) compared to virus isolation remains largely unknown. We searched three databases up to 15 December 2021 for DTA studies. The bivariate model was used to synthesise the estimates. Risk of bias was assessed using QUADAS‐2/C. Twenty studies (2605 respiratory samples) using cell culture and at least one molecular test were identified. All studies were at high or unclear risk of bias in at least one domain. Three comparative DTA studies reported results on Ag‐RDT and RT‐qPCR against cell culture. Two studies evaluated RT‐qPCR against cell culture only. Fifteen studies evaluated Ag‐RDT against cell culture as reference standard in RT‐qPCR‐positive samples. For Ag‐RDT, summary sensitivity was 93% (95% CI 78; 98%) and specificity 87% (95% CI 70; 95%). For RT‐qPCR, summary sensitivity (continuity‐corrected) was 98% (95% CI 95; 99%) and specificity 45% (95% CI 28; 63%). In studies relying on RT‐qPCR‐positive subsamples (n = 15), the summary sensitivity of Ag‐RDT was 93% (95% CI 92; 93%) and specificity 63% (95% CI 63; 63%). Ag‐RDT show moderately high sensitivity, detecting most but not all samples demonstrated to be infectious based on virus isolation. Although RT‐qPCR exhibits high sensitivity across studies, its low specificity to indicate infectivity raises the question of its general superiority in all clinical settings. Study findings should be interpreted with caution due to the risk of bias, heterogeneity and the imperfect reference standard for infectivity.
Proposing a composite index and maturity model for urban sustainability in the Brazilian context: A machine learning and data envelopment analysis approach
Authors: Furlan Marcelo , Lima Pedro Augusto Bertucci , Paião Junior Gilberto Dias , Mariano Enzo Barberio , Pires Sara Margarida Moreno 
Published: July 2024

AbstractDespite efforts towards the accomplishment of the UN 2030 Agenda, the challenges of burgeoning populations, income inequality, difficulty in accessing basic services, among others, remain in several cities around the world. New approaches to measure and assess the sustainability of cities can support the development of actions to improve the different dimensions of sustainability. The research aims to propose an urban sustainability index and a maturity model to evaluate the sustainability of cities and monitor it over time. To achieve this objective, a maturity model was developed based on three different techniques: Data Envelopment Analysis, Artificial Neural Networks, and Analysis of Variance. The proposed index and the maturity model were applied to evaluate a sample of 504 Brazilian cities. The main results observed are: (a) the presence of five distinct levels of city performance (maturity), grouped via machine learning and validated via inferential statistics; (b) no city was considered fully sustainable and only 4.76% of the cities studies are at the highest level of urban sustainability maturity; (c) from a joint application of the three quantitative techniques and specific targets for each indicator could be identified, and the performance of cities classified over time. Based on the results, it is hoped that policy makers will have more objective and standardized tools to collect useful information and be able to reinforce critical strategies or chart new policies towards sustainable urban development. It is also hoped that the joint application of the techniques can shed light on new urban sustainability assessment models.
Modulating Surface Architecture and Electronic Conductivity of Li‐rich Manganese‐Based Cathode
Authors: Li Zhi , Cao Shuang , Chen Jiarui , Wu Lei , Chen Manfang , Ding Hao , Wang Ruijuan , Guo Wei , Bai Yansong , Liu Min , Wang Xianyou 
Published: July 2024

AbstractLi‐rich manganese‐based cathode (LRMC) has attracted intense attention to developing advanced lithium‐ion batteries with high energy density. However, LRMC is still plagued by poor cyclic stability, undesired rate capacity, and irreversible oxygen release. To address these issues, herein, a feasible polyvinylidene fluoride (PVDF)‐assisted interface modification strategy is proposed for modulating the surface architecture and electronic conductivity of LRMC by intruding the F‐doped carbon coating, spinel structure, and oxygen vacancy on the LRMC, which can greatly enhance the cyclic stability and rate capacity, and restrain the oxygen release for LRMC. As a result, the modified material delivers satisfactory cyclic performance with a capacity retention of 90.22% after 200 cycles at 1 C, an enhanced rate capacity of 153.58 mAh g−1 at 5 C and 126.32 mAh g−1 at 10 C, and an elevated initial Coulombic efficiency of 85.63%. Moreover, the thermal stability, electronic conductivity, and structure stability of LRMC are also significantly improved by the PVDF‐assisted interface modification strategy. Therefore, the strategy of simultaneously modulating the surface architecture and the electronic conductivity of LRMC provides a valuable idea to improve the comprehensive electrochemical performance of LRMC, which offers a promising reference for designing LRMC with high electrochemical performance.
Biodegradable Poly (L‐Lactic acid) Fibrous Membrane with Ribbon‐Structured Fibers and Ultrafine Nanofibers Enhances Air Filtration Performance
Authors: Li Lin , Gao Yuyu , Nie Guangzhi , Yan Xunchang , Wang Sai , Zhang Tong , Ramakrishna Seeram , Long Yun‐Ze , Han Wenpeng 
Published: July 2024

AbstractHere, the poly (l‐lactic acid) (PLLA) membrane with multi‐structured networks (MSN) is successfully prepared by electrospinning technology for the first time. It is composed of micron‐sized ribbon‐structured fibers and ultrafine nanofibers with a diameter of tens of nanometers, and they are connected to form the new network structure. Thanks to the special fiber morphology and structure, the interception and electrostatic adsorption ability for against atmospheric particulate matter (PM) are significantly enhanced, and the resistance to airflow is reduced due to the “slip effect” caused by ultrafine nanofibers. The PLLA MSN membrane shows excellent filtration performance with ultra‐high filtration efficiency (>99.9% for PM2.5 and >99.5% for PM0.3) and ultra‐low pressure drop (≈20 Pa). It has demonstrated filtration performance that even exceeds current non‐biodegradable polymer materials, laying the foundation for future applications of biodegradable PLLA in the field of air filtration. In addition, this new structure also provides a new idea for optimizing the performance of other polymer materials.
Deformation‐Resistant Underwater Adhesion in a Wide Salinity Range
Authors: Wang Shuxue , Ou Richang , Li Jingjing , Jin Kai , Yu Liangmin , Murto Petri , Wang Zhihang , Xu Xiaofeng 
Published: July 2024

AbstractConventional adhesives experience reduced adhesion when exposed to aqueous environments. The development of underwater adhesives capable of forming strong and durable bonds across various wet substrates is crucial in biomedical and engineering domains. Nonetheless, limited emphasis placed on retaining high adhesion strengths in different saline environments, addressing challenges such as elevated osmotic pressure and spontaneous dimensional alterations. Herein, a series of ionogel‐based underwater adhesives are developed using a copolymerization approach that incorporates “dynamic complementary cross‐linking” networks. Synergistic engineering of building blocks, cross‐linking networks, pendant groups and counterions within ionogels ensures their adhesion and cohesion in brine spanning a wide salinity range. A high adhesion strength of ≈3.6 MPa is attained in freshwater. Gratifyingly, steady adhesion strengths exceeding 3.3 MPa are retained in hypersaline solutions with salinity ranging from 50 to 200 g kg−1, delivering one of the best‐performing underwater adhesives suitable for diverse saline solutions. A combination of outstanding durability, reliability, deformation resistance, salt tolerance, and self‐healing properties showcases the “self‐contained” underwater adhesion. This study shines light on the facile fabrication of catechol‐free ionogel‐based adhesives, not merely boosting adhesion strengths in freshwater, but also broadening their applicability across various saline environments.
Fabrication of a Stable and Highly Effective Anode Material for Li‐Ion/Na‐Ion Batteries Utilizing ZIF‐12
Authors: Buğday Nesrin , Wang Haoji , Hong Ningyun , Zhang Baichao , Deng Wentao , Zou Guoqiang , Hou Hongshuai , Yaşar Sedat , Ji Xiaobo 
Published: July 2024

AbstractTransition metal selenides (TMSs) are receiving considerable interest as improved anode materials for sodium‐ion batteries (SIBs) and lithium‐ion batteries (LIBs) due to their considerable theoretical capacity and excellent redox reversibility. Herein, ZIF‐12 (zeolitic imidazolate framework) structure is used for the synthesis of Cu2Se/Co3Se4@NPC anode material by pyrolysis of ZIF‐12/Se mixture. When Cu2Se/Co3Se4@NPC composite is utilized as an anode electrode material in LIB and SIB half cells, the material demonstrates excellent electrochemical performance and remarkable cycle stability with retaining high capacities. In LIB and SIB half cells, the Cu2Se/Co3Se4@NPC anode material shows the ultralong lifespan at 2000 mAg−1, retaining a capacity of 543 mAhg−1 after 750 cycles, and retaining a capacity of 251 mAhg−1 after 200 cycles at 100 mAg−1, respectively. The porous structure of the Cu2Se/Co3Se4@NPC anode material can not only effectively tolerate the volume expansion of the electrode during discharging and charging, but also facilitate the penetration of electrolyte and efficiently prevents the clustering of active particles. In situ X‐ray difraction (XRD) analysis results reveal the high potential of Cu2Se/Co3Se4@NPC composite in building efficient LIBs and SIBs due to reversible conversion reactions of Cu2Se/Co3Se4@NPC for lithium‐ion and sodium‐ion storage.