bluuebunny/crossref_metadata_2025_split huggingface dataset:
Infill Density Effects on the Mechanical and Thermal Properties of Copper‐Plated 3D Printed Parts
Authors: Ludergnani Tommaso , Fredi Giulia , Malagutti Lorenzo , Balbo Andrea , Dorigato Andrea , Mollica Francesco , Mazzanti Valentina 
Published: August 2023

AbstractFused Filament Fabrication (FFF) is a 3D‐printing technique that enables the production of complex geometries with a high level of customization at low cost. The poor mechanical properties of FFF‐printed parts often undermine the application of this technology for structural purposes. To overcome this limitation, a two‐step metallization method is performed to deposit a copper layer on the exterior of an Acrylonitrile–Butadiene–Styrene (ABS) substrate, using a non‐toxic and cost‐effective plating solution. Electroplating over the exposed grid infill, at various densities, is exploited to improve the load transfer between copper and ABS. The resulting samples are characterized mechanically and thermally, and finite element modeling simulations are used to better understand the characterization results. It is found that an infill of 50–60% provides the best compromise between mechanical performance and thermal conductivity because the infill density is low enough to allow copper penetration into the material to create a strong mechanical interlocking with ABS, yet high enough to create multiple conductive bridges through the thickness of the sample. This study demonstrates the effectiveness of electroplating as a post‐processing technique to simultaneously enhance the mechanical and thermal properties of FFF‐printed parts and provides insights into the optimal design parameters for achieving this goal.
Exome sequencing findings in children with annular pancreas
Authors: Pitsava Georgia , Pankratz Nathan , Lane John , Yang Wei , Rigler Shannon , Shaw Gary M. , Mills James L. 
Published: August 2023

AbstractBackgroundAnnular pancreas (AP) is a congenital defect of unknown cause in which the pancreas encircles the duodenum. Theories include abnormal migration and rotation of the ventral bud, persistence of ectopic pancreatic tissue, and inappropriate fusion of the ventral and dorsal buds before rotation. The few reported familial cases suggest a genetic contribution.MethodsWe conducted exome sequencing in 115 affected infants from the California birth defects registry.ResultsSeven cases had a single heterozygous missense variant in IQGAP1, five of them with CADD scores >20; seven other infants had a single heterozygous missense variant in NRCAM, five of them with CADD scores >20. We also looked at genes previously associated with AP and found two rare heterozygous missense variants, one each in PDX1 and FOXF1.ConclusionIQGAP1 and NRCAM are crucial in cell polarization and migration. Mutations result in decreased motility which could possibly cause the ventral bud to not migrate normally. To our knowledge, this is the first study reporting a possible association for IQGAP1 and NRCAM with AP. Our findings of rare genetic variants involved in cell migration in 15% of our population raise the possibility that AP may be related to abnormal cell migration.
Progression before local control in osteosarcoma: Outcome and prognosis‐predictive factors
Authors: Halalsheh Hadeel , Amer Shrouq , Sultan Iyad 
Published: August 2023

AbstractBackgroundThe prognosis and impact of early disease progression in patients with osteosarcoma prior to local control (LC), and the potential therapeutic benefits of ifosfamide/etoposide (IE) remain underexplored in the medical literature.MethodsA retrospective study was conducted on pediatric patients (≤18 years) with osteosarcoma who presented to King Hussein Cancer Center between June 2006 and March 2022. We studied patients with disease progression before LC.ResultsAmong 195 patients, 31 (17males) exhibited disease progression before LC. The median age at diagnosis was 14.1 years, and patients were followed for a median of 23.1 months (range: 5.8–94.7). The majority of tumors were located in the extremities (n = 28). Ten patients (48%) had lung‐only metastasis. Twenty‐five patients showed progression at the local site only, and six showed progression both at local/metastatic sites. For the 25 patients with local‐site‐only progression, the decision for 24 was immediate LC via LSS (n = 9), amputation (n = 10), hemimandibulectomy (n = 1), and radiation therapy (n = 1). Three families refused amputation. Among the six patients with combined local/metastatic site progression, the decision was for two to intensify chemotherapy by adding IE, while the other four were recommended immediate LC. However, two of them refused surgery. In total, five patients received IE as intensification for progression, all of whom subsequently progressed. The 5‐year event‐free survival and overall survival were 27.2% and 31.3%, respectively.ConclusionOur findings suggest that early disease progression before LC in patients with osteosarcoma is associated with poor prognosis. However, patients initially diagnosed with localized disease and who later exhibited local‐disease‐only progression appeared to have better outcomes. The potential role of IE in the treatment of patients exhibiting early progression merits further investigation in a larger study cohort.
Ti3C2Tx MXene modification using silicane or quaternary ammonium salt via covalent bonding or interaction for high‐performance composites
Authors: Cheng Guojun , Xuan Ziyue , Tian Shen , Tang Zhongfeng , Ding Guoxin , Wan Xianglong 
Published: August 2023

AbstractTi3C2Tx MXene were modified by 3‐methacryloxypropyltrimethoxy silane (MPTS) and melamine quaternary ammonium salt (MG). The modification mechanism of MPTS and MG with Ti3C2Tx and the regulation of their surface and interfacial properties were confirmed through a series of tests. Ti3C2Tx@MPTS obtained by hydrolysis and hydroxyl co‐polycondensation had a hydrophobic surface and exhibits good dispersion stability. Ti3C2Tx@MG had a strong hydrophilic surface under the dual action of hydrogen bonding and electrostatic assembly, resulting in its surface charge changed from negative to positive. Furthermore, the morphologies of Ti3C2Tx@MPTS and Ti3C2Tx@MG were quite different. Compared with Ti3C2Tx MXene, Ti3C2Tx@MPTS still presents a multi‐layer structure, while Ti3C2Tx@MG shows a stripped‐off layer/single‐layer/partially collapse pattern. This is due to the fact that MPTS mainly modifies Ti3C2Tx MXene by coating, while MG is based on intercalation effect. The two modifiers modify Ti3C2Tx MXene with different effects, endow Ti3C2Tx MXene with different surface and interfacial properties, and then stabilize in the polymer matrix, supercapacitors and electrode materials in different ways.Highlights
The hydrophilic and hydrophobic Ti3C2Tx is realized by MG and MPTS.
Layered morphology of Ti3C2Tx was changed with the introduction of MPTS and MG.
The electronegativity of Ti3C2Tx was changed by the introduction of MPTS and MG.
Designing of molecularly imprinted polymer with carboxylic acid functionality for chiral separation of (±)‐3,4‐methylenedioxymethamphetamine
Authors: Alharbi Hussam Y. , Aljohani Majed S. , Monier Mohammed 
Published: August 2023

AbstractIn this work, we discuss the development of a long‐lasting enantioselective material for the effective enantio‐recognition of S‐3,4‐methylenedioxymethamphetamine (S‐MDMA) and chiral separation of the (±)‐MDMA racemate using a crosslinked poly(acrylic acid‐4‐vinylpyridine) copolymer. The first step was the synthesis and characterization of an acryloyl‐S‐MDMA amide. After that, the free radical initiator azobisisobutyronitrile was used to copolymerize the synthesized chiral amide with 4‐vinylpyridine and divinylbenzene. The incorporated S‐MDMA species were extracted from the polymeric particles by heating them with sodium hydroxide, followed by rinsing with hydrochloric acid. This developed the molecularly imprinted S‐MDMA particles, which were visualized with a scanning electron microscope and Fourier transform infrared spectroscopy. The selectivity parameters indicated a higher affinity of the fabricated S‐MDMA imprinted particles toward S‐MDMA, around 10‐fold higher than that related to R‐MDMA. Results from Langmuir adsorption experiments at pH 6 demonstrated a maximal capacity of 142 mg g−1. In addition, the values of enantiomeric excess were found to be 94.5% and 79.4% for R‐ and S‐MDMA in the loading and eluant solutions, respectively, after optical separation was done using the column technique. © 2023 Society of Industrial Chemistry.
Development of 3‐D point cloud imaging and 2‐D image processing methods for high‐throughput phenotyping of perennial ryegrass spikes
Authors: Tubbs Travis B. , Chastain Thomas G. 
Published: August 2023

AbstractAdvances in technology have increased the adoption of high‐throughput phenotyping (HTP) methodologies, potentially replacing laborious and time‐consuming measurements and data recording. One promising HTP tool for fine‐featured and small‐sized characteristics is the three‐dimensional (3‐D) scanning and imaging system, but the utility of present two‐dimensional (2‐D) technology has not been fully explored for this purpose. The objective of this work was to reduce assessment and field evaluation time by developing 2‐D photogrammetric and 3‐D point cloud imaging methods for HTP of spike characteristics in perennial ryegrass (Lolium perenne L.), with special attention to traits that might be associated with seed retention. These HTP imaging systems were compared with direct data capture by hand on spikes of 21 diverse global accessions of perennial ryegrass. The Fiji (ImageJ) open‐source imaging software was used for photogrammetric analysis of spike structure, including spike length, spikelet number, internode length, and 2‐D curvature of the spike. An original approach to nondestructive HTP for crop characterization was developed using the commercially available Artec Space Spider. This 3‐D optical sensor was used to generate dense 3‐D point clouds to measure spike length, spikelet number, internode length, spikelet length, spikelet angle, and 3‐D curvature of the spike. Both methods were found to accurately characterize the subject; the 3‐D method was slower than 2‐D but was more precise (p ≤ 0.01) than 2‐D image analysis with a linear measurement deviation of only 0.17%. Fiji was effectively used for post‐processing image analysis, and the Space Spider can be used directly in the field to support HTP data collection. This non‐destructive field measurement system facilitates HTP in perennial ryegrass spikes and likely in other applications.
MEM‐FET: Essential protein prediction using membership feature and machine learning approach
Authors: Payra Anjan Kumar , Saha Banani , Ghosh Anupam 
Published: August 2023

AbstractProteins are played key roles in different functionalities in our daily life. All functional roles of a protein are a bit enhanced in interaction compared to individuals. Identification of essential proteins of an organism is a time consume and costly task during observation in the wet lab. The results of observation in wet lab always ensure high reliability and accuracy in the biological ground. Essential protein prediction using computational approaches is an alternative choice in research. It proves its significance rapidly in day‐to‐day life as well as reduces the experimental cost of wet lab effectively. Existing computational methods were implemented using Protein interaction networks (PPIN), Sequence, Gene Expression Dataset (GED), Gene Ontology (GO), Orthologous groups, and Subcellular localized datasets. Machine learning has diverse categories of features that enable to model and predict essential macromolecules of understudied organisms. A novel methodology MEM‐FET (membership feature) is predicted based on features, that is, edge clustering coefficient, Average clustering coefficient, subcellular localization, and Gene Ontology within a compartment of common neighbors. The accuracy (ACC) values of the predicted true positive (TP) essential proteins are 0.79, 0.74, 0.78, and 0.71 for YHQ, YMIPS, YDIP, and YMBD datasets. An enriched set of essential proteins are also predicted using the MEM‐FET algorithm. Ensemble ML also validated the proposed model with an accuracy of 60%. It has been predicted that MEM‐FET algorithms outperform other existing algorithms with an ACC value of 80% for the yeast dataset.
Revisiting the structure and dynamics of hydrated Cd2+ in aqueous solutions: Insights from the RI‐SCS‐MP2/MM molecular dynamics simulation
Authors: Prasetyo Niko , Kusuma Alberto Krishna Ksatria Winning , Iqbal La Ode Muhammad 
Published: August 2023

AbstractThe spin component scale MP2/molecular mechanics molecular dynamics simulation investigated the hydration shell formation and hydrated Cd2+ dynamics in the water environment. At the first hydration shell, six water molecules with 2.27 Å for the average distance between water and Cd2+. Dynamical properties were analyzed by computing the water molecule's mean residence time (MRT) in its first and second hydration shells. The MRT of each shell was determined to be 31.8 and 1.92 ps, suggesting the strong influence of Cd2+ in the first hydration shell. The second shell was labile, with an average number of water molecules being 18. Despite the strong interaction between Cd2+ and water molecules in the first shell, the influence of ions in the second hydration shell remained weak.
Examining the interplay of sustainable development, corporate governance, and stock Price crash risk: Insights from ESG practices
Authors: Chebbi Kaouther 
Published: August 2023

AbstractAmidst the growing emphasis on sustainable development, there is an emerging trend of companies actively pursuing the transition towards sustainability. This shift is driven by various factors, including heightened societal scrutiny and a greater focus on environmental, social, and governance (ESG) considerations. As a result, companies are increasingly acknowledging the significance of incorporating sustainable practices into their operations to align with the expectations of the capital market. This paper investigates the association between ESG disclosures and stock price crash moderated by corporate governance (board size, independence, and gender diversity) for Saudi firms. Using a fixed effects regression method, we find that the coefficient of ESG is significant and negative (−0.0043 for NCSKEW and − 0.0006 for DUVOL) indicating a positive influence of ESG in diminishing stock price crash. The results also show that corporate governance positively and significantly moderate the ESG‐stock price crash risk. As additional analyses, we find a significant negative relationship between each aspect of ESG including social responsibility, environmental activities and governance practices and stock price crash risk. Moreover, the pandemic COVID‐19 has a dampening effect on the ESG‐stock price crash association. To ensure the validity of these conclusions, dynamic GMM models were employed to tackle any potential endogeneity issues, making the results even more robust. Our findings highlight that improving corporate sustainability positively impacts the stability of companies' stock prices. This study provides valuable insights and perspectives from the context of Saudi Arabia and offers theoretical and managerial implications that are relevant for policymakers and investors.
2D TiS2‐Nanosheet‐Coated Concave Gold Arrays with Triple‐Coupled Resonances as Sensitive SERS Substrates
Authors: Ge Yuancai , Yang Ying , Zhu Yajie , Yuan Meiling , Sun Liangbin , Jiang Danfeng , Liu Xiaohu , Zhang Qingwen , Zhang Jinyi , Wang Yi 
Published: August 2023

AbstractHerein, a hybrid substrate for surface‐enhanced Raman scattering (SERS) is fabricated, which couples localized surface plasmon resonance (LSPR), charge transfer (CT) resonance, and molecular resonance. Exfoliated 2D TiS2 nanosheets with semimetallic properties accelerate the CT with the tested analytes, inducing a remarkable chemical mechanism enhancement. In addition, the LSPR effect is coupled with a concave gold array located underneath the thin TiS2 nanosheet, providing a strong electromagnetic enhancement. The concave gold array is prepared by etching silicone nanospheres assembled on larger polystyrene nanospheres, followed by depositing a gold layer. The LSPR intensity near the gold layer can be adjusted by changing the layer thickness to couple the molecular and CT resonances, in order to maximize the SERS enhancement. The best SERS performance is recorded on TiS2‐nanosheet‐coated plasmonic substrates, with a detectable methylene blue concentration down to 10−13 m and an enhancement factor of 2.1 × 109 and this concentration is several orders of magnitude lower than that of the TiS2 nanosheet (10−11 m) and plasmonic substrates (10−9 m). The present hybrid substrate with triple‐coupled resonance further shows significant advantages in the label‐free monitoring of curcumin (a widely applied drug for treating multiple cancers and inflammations) in serum and urine.
A Chiral Nanocomplex for Multitarget Therapy to Alleviate Neuropathology and Rescue Alzheimer's Cognitive Deficits
Authors: Tan Huarong , Huang Yuqi , Dong Shuqing , Bai Zetai , Chen Cheng , Wu Xiunan , Chao Minghao , Yan Hanrong , Wang Shaoshen , Geng Deqin , Gao Fenglei 
Published: August 2023

AbstractAlzheimer's disease (AD) is a severe neurodegenerative condition characterized by inflammation, beta‐amyloid (Aβ) plaques, and neurodegeneration, which currently lack effective treatments. Chiral nanomaterials have emerged as a promising option for treating neurodegenerative disorders due to their high biocompatibility, strong sustained release ability, and specific enantiomer selectivity. The development of a stimulus‐responsive chiral nanomaterial, UiO‐66‐NH2@l‐MoS2 QDs@PA‐Ni (MSP‐U), for the treatment of AD is reported. MSP‐U is found to stimulate neural stem cell (NSCs) differentiation, promote in situ hydrogen (H2) production, and clear Aβ plaques. l‐MoS2 QDs modified with l‐Cysteine (l‐Cys) effectively enhance the differentiation of NSCs into neurons through circularly polarized near‐infrared radiation. Doped‐phytic acid nickel (PA‐Ni) improves the activity of l‐MoS2 QDs in scavenging reactive oxygen species at the lesion site via photocatalytic H2 production. Loading l‐MoS2 QDs with UiO‐66 type metal oxide suppresses electron–hole recombination effect, thereby achieving rapid charge separation and improving transport of photogenerated electrons, leading to significantly improved H2 production efficiency. The photothermal effect of MSP‐U also clears the generated Aβ plaques. In vivo evaluations show that MSP‐U improves spatial cognition and memory, suggesting a promising potential candidate for the treatment of AD using chiral nanomaterials.
Mechanoregulatory Cholesterol Oxidase‐Functionalized Nanoscale Metal–Organic Framework Stimulates Pyroptosis and Reinvigorates T Cells
Authors: Zhen Wenyao , Luo Taokun , Wang Zitong , Jiang Xiaomin , Yuan Eric , Weichselbaum Ralph R. , Lin Wenbin 
Published: August 2023

AbstractCancer cells alter mechanical tension in their cell membranes. New interventions to regulate cell membrane tension present a potential strategy for cancer therapy. Herein, the increase of cell membrane tension by cholesterol oxidase (COD) via cholesterol depletion in vitro and the design of a COD‐functionalized nanoscale metal–organic framework, Hf‐TBP/COD, for cholesterol depletion and mechanoregulation of tumors in vivo, are reported. COD is found to deplete cholesterol and disrupt the mechanical properties of lipid bilayers, leading to decreased cell proliferation, migration, and tolerance to oxidative stress. Hf‐TBP/COD increases mechanical tension of plasma membranes and osmotic fragility of cancer cells, which induces influx of calcium ions, inhibits cell migration, increases rupturing propensity for effective caspase‐1 mediated pyroptosis, and decreases tolerance to oxidative stress. In the tumor microenvironment, Hf‐TBP/COD downregulates multiple immunosuppressive checkpoints to reinvigorate T cells and enhance T cell infiltration. Compared to Hf‐TBP, Hf‐TBP/COD improves anti‐tumor immune response and tumor growth inhibition from 54.3% and 79.8% to 91.7% and 95% in a subcutaneous triple‐negative breast cancer model and a colon cancer model, respectively.
Extending the In Vivo Residence Time of Macrophage Membrane‐Coated Nanoparticles through Genetic Modification
Authors: Duan Yaou , Zhou Jiarong , Zhou Zhidong , Zhang Edward , Yu Yiyan , Krishnan Nishta , Silva‐Ayala Daniela , Fang Ronnie H. , Griffiths Anthony , Gao Weiwei , Zhang Liangfang 
Published: August 2023

AbstractNanoparticles coated with natural cell membranes have emerged as a promising class of biomimetic nanomedicine with significant clinical potential. Among them, macrophage membrane‐coated nanoparticles hold particular appeal due to their versatility in drug delivery and biological neutralization applications. This study employs a genetic engineering approach to enhance their in vivo residence times, aiming to further improve their performance. Specifically, macrophages are engineered to express proline‐alanine‐serine (PAS) peptide chains, which provide additional protection against opsonization and phagocytosis. The resulting modified nanoparticles demonstrate prolonged residence times when administered intravenously or introduced intratracheally, surpassing those coated with the wild‐type membrane. The longer residence times also contribute to enhanced nanoparticle efficacy in inhibiting inflammatory cytokines in mouse models of lipopolysaccharide‐induced lung injury and sublethal endotoxemia, respectively. This study underscores the effectiveness of genetic modification in extending the in vivo residence times of macrophage membrane‐coated nanoparticles. This approach can be readily extended to modify other cell membrane‐coated nanoparticles toward more favorable biomedical applications.
The Organic Ligand Etching Method for Constructing In Situ Terraced Protective Layer Toward Stable Aqueous Zn Anode
Authors: Li Li , Yang Hang , Yuan Zeyu , Tan Yicheng , Zhang Yiming , Miao Chenglin , Chen Duo , Li Guangshe , Han Wei 
Published: August 2023

AbstractThe stability of aqueous Zn‐ion batteries (AZIBs) is highly dependent on the reversibility of stripping/plating Zn anode. In this work, an organic ligand etching method is proposed to develop a series of in situ multifunctional protective layers on Zn anode. Particularly, the 0.02 m [Fe(CN) 6]3− etching solutions can spontaneously etch the Zn anode, creating an in situ protective layer with unique terraced structure, which blocks the direct contact between the electrode and electrolyte and increases the area for Zn2+ ions deposition. Interestingly, all elements in the organic ligands (i.e., C, N, Zn, and Fe) exhibit strong zincophilic, significantly promoting zinc deposition kinetics and enhancing 3D nucleation behavior to inhibit zinc dendrite growth. As a result, the etched Zn anode can provide as high a Coulombic efficiency of 99.6% over 1000 cycles and sustain over 400 h long‐term stability at a high current density of 10 mA cm−2. As general validation, the small amount of metal cations additives (e.g., Ni2+, Mn2+, and Cu2+) can accelerate the synthesis of artificial interface layers with 3D structures and also regulate zinc deposition behavior. This work provides a new idea from the perspective of etching solution selection for surface modification of Zn metal anode.