bluuebunny/crossref_metadata_2025_split huggingface dataset:
Smart Bioorthogonal Nanozymes: From Rational Design to Appropriate Bioapplications
Authors: Zhang Wenting , Zhu Jiawei , Ren Jinsong , Qu Xiaogang 
Published: August 2024

AbstractBioorthogonal chemistry has provided an elaborate arsenal to manipulate native biological processes in living systems. As the great advancement of nanotechnology in recent years, bioorthogonal nanozymes are innovated to tackle the challenges that emerged in practical biomedical applications. Bioorthogonal nanozymes are uniquely positioned owing to their advantages of high customizability and tunability, as well as good adaptability to biological systems, which bring exciting opportunities for biomedical applications. More intriguingly, the great advancement in nanotechnology offers an exciting opportunity for innovating bioorthogonal catalytic materials. In this comprehensive review, the significant progresses of bioorthogonal nanozymes are discussed with both spatiotemporal controllability and high performance in living systems, and highlight their design principles and recent rapid applications. The remaining challenges and future perspectives are then outlined along this thriving field. It is expected that this review will inspire and promote the design of novel bioorthogonal nanozymes, and facilitate their clinical translation.
Sulfate Radical Based In Situ Vaccine Boosts Systemic Antitumor Immunity via Concurrent Activation of Necroptosis and STING Pathway
Authors: Huang Yiming , Zou Jie , Huo Jiangyan , Zhang Min , Yang Yannan 
Published: August 2024

AbstractIn situ vaccine (ISV) can provoke systemic anti‐tumor immunity through the induction of immunogenic cell death (ICD). The development of ISV technology has been restricted by the limited and suboptimal ICD driven tumor antigen production which are currently relying on chemo‐drugs, photo‐/radio‐sensitizers, oncolytic‐virus and immunostimulatory agents. Herein, a sulfate radical (SO4·−) based ISV is reported that accomplishes superior tumor immunotherapy dispense from conventional approaches. The ISV denoted as P‐Mn‐LDH is constructed by intercalating peroxydisulfate (PDS, a precursor of SO4·−) into manganese layered double hydroxide nanoparticles (Mn‐LDH). This design allows the stabilization of PDS under ambient condition, but triggers a Mn2+ mediated PDS decomposition in acidic tumor microenvironment (TME) to generate in situ SO4·−. Importantly, it is found that the SO4·‐ radicals not only effectively kill cancer cells, but also induce a necroptotic cell death pathway, leading to robust ICD signaling for eliciting adaptive immunity. Further, the P‐Mn‐LDH can activate the stimulator of interferon genes (STING) pathway to further boost anti‐tumor immunity. Collectively, the P‐Mn‐LDH based ISV exhibited potent activity in inhibiting tumor growth and lung metastasis. When combined with immune checkpoint inhibitor, significant inhibition of distant tumors is achieved. This study underpins the promise of SO4·‐ based vaccine technology for cancer immunotherapy.
Ultrastable Carboxyl‐Functionalized Pore‐Space‐Partitioned Metal‐Organic Frameworks for Gas Separation
Authors: Ajayan Pooja , Wang Wei , Chen Yichong , Bu Xianhui , Feng Pingyun 
Published: August 2024

AbstractIsoreticular chemistry, which enables property optimization by changing compositions without changing topology, is a powerful synthetic strategy. One of the biggest challenges facing isoreticular chemistry is to extend it to ligands with strongly coordinating substituent groups such as unbound −COOH, because competitive interactions between such groups and metal ions can derail isoreticular chemistry. It is even more challenging to have an isoreticular series of carboxyl‐functionalized MOFs capable of encompassing chemically disparate metal ions. Here, with the simultaneous introduction of carboxyl functionalization and pore space partition, a family of carboxyl‐functionalized materials is developed in diverse compositions from homometallic Cr3+ and Ni2+ to heterometallic Co2+/V3+, Ni2+/V3+, Co2+/In3+, Co2+/Ni2+. Cr‐MOFs remain highly crystalline in boiling water. Unprecedentedly, one Cr‐MOF can withstand the treatment cycle with 10m NaOH and 12m HCl, allowing reversible inter‐conversion between unbound −COOH acid form and −COO− base form. These materials exhibit excellent sorption properties such as high uptake capacity for CO2 (100.2 cm3 g−1) and hydrocarbon gases (e.g., 142.1 cm3 g−1 for C2H2, 110.5 cm3 g−1 for C2H4) at 1 bar and 298K, high benzene/cyclohexane selectivity (up to ≈40), and promising separation performance for gas mixtures such as C2H2/CO2 and C2H2/C2H4.
Periodic Single‐Metal Site Catalysts: Creating Homogeneous and Ordered Atomic‐Precision Structures
Authors: Zhang Tianyu , Wang Dingsheng , Liu Junfeng 
Published: August 2024

AbstractHeterogeneous single‐metal‐site catalysts (SMSCs), often referred to as single‐atom catalysts (SACs), demonstrate promising catalytic activity, selectivity, and stability across a wide spectrum of reactions due to their rationally designed microenvironments encompassing coordination geometry, binding ligands, and electronic configurations. However, the inherent disorderliness of SMSCs at both atomic scale and nanoscale poses challenges in deciphering working principles and establishing the correlations between microenvironments and the catalytic performances of SMSCs. The rearrangement of randomly dispersed single metals into homogeneous and atomic‐precisely structured periodic single‐metal site catalysts (PSMSCs) not only simplifies the chaos in SMSCs systems but also unveils new opportunities for manipulating catalytic performance and gaining profound insights into reaction mechanisms. Moreover, the synergistic effects of adjacent single metals and the integration effects of periodic single‐metal arrangement further broaden the industrial application scope of SMSCs. This perspective offers a comprehensive overview of recent advancements and outlines prospective avenues for research in the design and characterizations of PSMSCs, while also acknowledging the formidable challenges encountered and the promising prospects that lie ahead.
Unveiling the Reaction Mystery Between Lithium Polysulfides and Lithium Metal Anode in Lithium–Sulfur Batteries
Authors: Bi Chen‐Xi , Yao Nan , Li Xi‐Yao , Zhang Qian‐Kui , Chen Xiang , Zhang Xue‐Qiang , Li Bo‐Quan , Huang Jia‐Qi 
Published: August 2024

AbstractLithium‐sulfur (Li–S) batteries are widely regarded as one of the most promising next‐generation high‐energy‐density energy storage devices. However, soluble lithium polysulfides (LiPSs) corrode Li metal and deteriorate the cycling stability of Li–S batteries. Understanding the reaction mechanism between LiPSs and Li metal anode is imperative. Herein, the reaction rate and products of LiPSs with Li metal anode, the composition and structure of the as‐generated solid electrolyte interphase (SEI), and the mechanism of lithium nitrate (LiNO3) additives for inhibiting the corrosion reactions are systematically unveiled. Concretely, LiPSs react with Li metal anode more rapidly than Li salt and generate a Li2S‐rich SEI. The Li2S‐rich SEI is highly reactive with LiPSs, which exacerbates the formation of dendritic Li and the continuous corrosion of active Li. LiNO3 functions dominantly by modulating the solvation structure of LiPSs and inherently reducing the reactivity of LiPSs, rather than the conventional understanding of LiNO3 participating in the formation of SEI. This work reveals the reaction mechanism between LiPSs and Li metal anode and inspires rational regulating of the solvation structure of LiPSs for stabilizing Li metal anode in Li–S batteries.
SelTox: Discovering the Capacity of Selectively Antimicrobial Nanoparticles for Targeted Eradication of Pathogenic Bacteria
Authors: Jyakhwo Susan , Bocharova Valentina , Serov Nikita , Dmitrenko Andrei , Vinogradov Vladimir V. 
Published: August 2024

AbstractFor years, researchers have searched for novel antibiotics to combat pathogenic infections. However, antibiotics lack specificity, harm beneficial microbes, and cause the emergence of antibiotic‐resistant strains. This study proposes an innovative approach to selectively eradicate pathogenic bacteria with a minimal effect on non‐pathogenic ones by discovering selectively antimicrobial nanoparticles. To achieve this, a comprehensive database is compiled to characterize nanoparticles and their antibacterial activity. Then, CatBoost regression models are trained for predicting minimal concentration (MC) and zone of inhibition (ZOI). The models achieve a ten‐fold cross‐validation (CV) R2 score of 0.82 and 0.84 with root mean square error (RMSE) of 0.46 and 2.41, respectively. Finally, a machine learning (ML) reinforced genetic algorithm (GA) is developed to identify the best‐performing selective antibacterial NPs. As a proof of concept, a selectively antibacterial nanoparticle, CuO, is identified for targeted eradication of a pathogenic bacteria, Staphylococcus aureus. A difference in minimal bactericidal concentration (MBC) of 392.85 µg mL−1 is achieved when compared to non‐pathogenic bacteria, Bacillus subtilis. These findings significantly contribute to the emerging research domain of selectively toxic (SelTox) nanoparticles and open the door for future exploration of synergetic interactions of SelTox nanoparticles with drugs.
Liquid Metal‐Based Multimodal Wearable Sensor Platform Enabled by Highly Accessible Microfabrication of PDMS with Tuned Mechanical Properties
Authors: Kim Byungjin , Lee Sangmin , Kim Jae In , Lee Dong Hyeon , Koo Bon‐Jae , Kim Seong‐Geon , Ryu Seyeong , Kim Byungchul , Seo Min‐Ho , Jeong Joonsoo 
Published: August 2024

AbstractThe seamless integration of wearable devices into user‐friendly and cost‐effective healthcare systems requires constituent materials with high degrees of flexibility, stretchability, and adhesive properties without compromising performance during dynamic body movements. This study proposes a liquid metal (LM)‐based multimodal skin‐mountable sensor platform using polydimethylsiloxane tuned for enhanced stretchability and stickiness (sPDMS) to fully leverage the LM's deformability. A highly accessible end‐to‐end fabrication approach is proposed for multifunctional LM sensors from modeling to fabrication and packaging, all achieved without the need for cleanroom facilities or special equipment. The LM‐based facile fabrication process tailored for sPDMS enables an adhesive‐free sensor patch with microfluidic channels of 100 µm width and stretchability up to 100%. A new analytical model provides enhanced estimation on the electromechanical behavior of LM channels compared with existing models. The funnel‐assisted LM filling and tape‐based channel sealing methods enable simple packaging of LM channels with robust external interconnection and direct skin‐interfaced monitoring. The feasibility of this healthcare platform is demonstrated through a multimodal sensor patch with electromechanical and electrophysiological functionalities. The proposed technology addresses current challenges in the cost and complexity of microfabrication, expanding the boundaries of wearable devices for highly accessible and personalized healthcare devices.
Cross‐correlating soil aggregate stability methods to facilitate universal interpretation
Authors: Aller Deborah , Amsili Joseph P. , van Es Harold M. 
Published: August 2024

AbstractAggregate stability is a critical physical indicator of soil health. However, multiple methods are used for measuring aggregate stability, making it difficult to compare results and limiting universal interpretations in soil health assessment frameworks like Soil Health Assessment Protocol and Evaluation. We cross‐correlated three common water‐stable aggregate methods (WSACASH, WSAARS, and WSASLAKES) using a dataset of nearly 1400 samples and developed pedotransfer functions using random forest models to evaluate method performance. We found that the WSAARS and WSACASH methods can be reasonably cross correlated through pedotransfer functions because they use similar processes for estimating aggregate strength. Conversely, the WSAARS and WSASLAKES methods are not transferable. We suggest that the WSAARS aggregate stability method is the most established and best reference method for use in soil health analysis frameworks. Interpretation consistency will lead to more robust comparisons of aggregate stability as a key physical soil health indicator.Core Ideas
Different approaches for measuring aggregate stability prevent generalized result interpretation.
The water‐stable aggregate wet sieve procedure (WSAARS) is proposed as the reference method for interpretation.
Other soil aggregate stability methods can be variably correlated with WSAARS.
Solvent transport behavior in polymer membranes with intrinsic microporosity for organic solvent reverse osmosis
Authors: Li Jiaqi , Li Fupeng , Fang Yijie , Guo Hukang , Feng Weilin , Shen Qin , Fang Chuanjie , Wang Jianyu , Zhu Liping 
Published: August 2024

AbstractOrganic solvent reverse osmosis (OSRO) is an emerging and promising technology for the separation of organic mixtures, which is realized by differential transport rates of organics through polymer membranes. However, the solvent transport characteristics and separation mechanism within OSRO systems remain unclear. Herein, we investigate the solvent transport behavior in polymer membranes with intrinsic microporosity by combining nonequilibrium molecular dynamics simulations with solvent permeation examinations. The results indicate that organic molecules permeate through the micropores in a clustered state driven by both pressure and concentration gradients. The selectivity of solvents is co‐determined by their sorption and diffusion in the swollen polymer membranes with a microporous character. The sorption selectivity is predominant in the overall selectivity toward polar ethyl ether/n‐butanol separation, whereas diffusion selectivity is more critical in nonpolar 1,3,5‐triisopropylbenzene/toluene separation. Generally, this work provides valuable insights into the development of next‐generation OSRO membranes for solvent separation.
The genetic and environmental etiology of novel frequency‐driven regional parcellations of abnormal white matter
Authors: Lin Shu‐Ju , Gillespie Nathan A. , Notestine Randy , Gamst Anthony C. , Chen Anna M. , McEvoy Linda K. , Panizzon Matthew S. , Elman Jeremy A. , Glatt Stephen J. , Hagler Donald J. , Neale Michael C. , Franz Carol E. , Kremen William S. , Fennema‐Notestine Christine 
Published: August 2024

AbstractThe prevalence of white matter disease increases with age and is associated with cerebrovascular disease, cognitive decline, and risk for dementia. MRI measures of abnormal signal in the white matter (AWM) provide estimates of damage, however, regional patterns of AWM may be differentially influenced by genetic or environmental factors. With our data‐driven regional parcellation approach, we created a probability distribution atlas using Vietnam Era Twin Study of Aging (VETSA) data (n = 475, mean age 67.6 years) and applied a watershed algorithm to define separate regional parcellations. We report biometrical twin modeling for five anatomically distinct regions: (1) Posterior, (2) Superior frontal and parietal, (3) Anterior and inferior frontal with deep areas, (4) Occipital, and (5) Anterior periventricular. We tested competing multivariate hypotheses to identify unique influences and to explain sources of covariance among the parcellations. Family aggregation could be entirely explained by additive genetic influences, with additive genetic variance (heritability) ranging from 0.69 to 0.79. Most genetic correlations between parcellations ranged from moderate to high (rg = 0.57–0.85), although two were small (rg = 0.35–0.39), consistent with varying degrees of unique genetic influences. This proof‐of‐principle investigation demonstrated the value of our novel, data‐driven parcellations, with identifiable genetic and environmental differences, for future exploration.
Organoselenium Compounds as an Emerging Class of Stabilizers of applied Nanomaterials for Applications in the Catalysis of Organic Reactions
Authors: Purohit Suraj , Oswal Preeti , Tyagi Anupma , Bahuguna Anurag , Bhatt Neeraj , Kumar Arun 
Published: August 2024

AbstractNanomaterials have revolutionized various scientific and industrial domains due to their exceptional properties and diverse applications. Yet, challenges persist in achieving their controlled synthesis, stability, and recyclability, especially in catalysis. Organoselenium compounds are emerging as promising agents for the stabilization of nanomaterials, with high prospects for catalytic applications. This article covers the recent strides made in harnessing the potential of organoselenium compounds to stabilize diverse nanomaterials with applications in catalysis. Specifically, it delves into their effectiveness in Suzuki‐Miyaura cross‐coupling, C−O coupling, Sonogashira coupling, reduction of nitroarenes, synthesis of primary amides (in aqueous medium), and offers a comprehensive overview of this evolving field.
Wettability of polyethylene terephthalate melt on steel substrates and the effect of cooling rate on polymer amorphicity
Authors: Nathan D. Kamala , Prabhu K. Narayan 
Published: August 2024

AbstractThe effect of surface roughness and temperature on wettability of polyethylene terephthalate (PET) melt on steel substrates is assessed. A plot of contact angle, Φ, Vs. time, τ, revealed the significant effect of temperature on wetting compared to surface roughness. The surface free energy of the steel substrate decreased by about 22% with increase in surface roughness from 0.21 to 3.8 μm. The measured surface tension of the polymer melt was 31.36 mN m−1 at 260°C. The variation in the cooling rate of the solidifying molten PET resulted in varying degree of polymer opacity. The opacity variations were quantified as a function of pixel intensity. The opacity of the solidified PET melt drops sharply declines at lower cooling rates before stabilizing at higher rates. No significant difference in the mean pixel intensity is observed between PET melts solidified at different substrate temperatures. Three distinct regimes in PET melt solidification are identified: (i) increased crystallization propensity at lower cooling rates (<8°C min−1), (ii) dominance of amorphous characteristics at higher rates (>199°C min−1), and (iii) a transitional regime at intermediate cooling rates.
Toward the production of bioblends for the automotive sector: Reuse of recycled polyamide 6,6 to prepare super‐tough biopolyethylene
Authors: Barreto Luna Carlos Bruno , Lama Giuseppe Cesare , de Matos Costa Anna Raffaela , d'Ayala Giovanna Gomez , Ramos Wellen Renate Maria , Araújo Edcleide Maria 
Published: August 2024

AbstractPlastics reuse is essential for promoting a sustainable future, especially by mitigating environmental impacts. Recycled polyamide 66 (PA66r) was reused for the produce biopolyethylene (BioPE)‐based blends, aiming to obtain a super‐tough material. Initially, a premix of PA66r with maleic anhydride‐grafted ethylene–propylene–diene (EPDM‐MA) was obtained in an internal mixer. Subsequently, the BioPE/PA66r and BioPE/(PA66r/EPDM‐MA) blends were processed in a twin‐screw extruder and injection molded. The rheological, mechanical, thermal, thermomechanical, structural, and morphological properties were investigated. Torque rheometry indicated an increase in the viscosity of the BioPE/(PA66r/EPDM‐MA) blends compared to BioPE/PA66r, which was confirmed by a reduction in the melt flow index (MFI). EPDM‐MA promoted greater stability in BioPE/(PA66r/EPDM‐MA) blends during processing, reducing the degradation rate and molecular weight loss. The BioPE/(PA66r/EPDM‐MA) blend with the 70/(15/15)% composition exhibited super‐tough behavior, with 822.4 J/m impact strength and 233% elongation at break. Scanning electron microscopy indicated a fracture with high plastic deformation, elongated fibrils, and refined particles (0.64 μm), confirming the high toughness. Apparently, a core‐shell morphology was formed, which favored maintaining tensile strength, Shore D hardness, and heat deflection temperature comparable to pure BioPE. The results indicate potential for application in the automotive industry, contributing to reintroducing recycled material into the production chain.
Rapid UHPLC–MS/MS measurement of pregnanediol 3‐glucuronide in spot urine samples for detecting ovulation
Authors: Leoni Laura , Rosmini Federica , Ledda Francesca , Parasiliti‐Caprino Mirko , Settanni Fabio , Nonnato Antonello , Ghigo Ezio , Moghetti Paolo , Mengozzi Giulio , Ponzetto Federico 
Published: August 2024

AbstractBiochemical confirmation of ovulation typically involves measuring serum progesterone levels during the mid‐luteal phase. Alternatively, this information could be obtained by monitoring urinary excretion of conjugated metabolites of ovarian steroids such as pregnanediol 3‐glucuronide (PDG) using immunoassay techniques that have methodological limitations. The aim of the present study was to develop a mass spectrometry (MS)‐based method for the rapid and accurate measurement of urinary PDG levels in spot urine samples. A “dilute and shoot” ultra‐high‐performance liquid cromatography tandem mass spectrometry (UHPLC‐MS/MS) method was developed for measuring PDG urinary concentration with a 6‐min analysis time. The method underwent validation in accordance with ISO 17025 documentation for quantitative methods, proving an efficient separation of PDG from other structurally similar glucuro‐conjugated steroid metabolites and ensuring a sufficient sensitivity for detecting the target analyte at concentrations as low as 0.01 μg/mL. The validation protocol yielded satisfactory results in terms of accuracy, repeatability, intermediate precision, and combined uncertainty. Additionally, the stability of both the samples and calibration curves was also conducted. The application to real urine samples confirmed the method's capability to measure PDG levels throughout an entire menstrual cycle and detecting ovulation. The rapidity of the analytical platform would therefore enable high throughput analysis, which is advantageous for large cohort clinical studies.
Environmental, social, and governance, firm performance and the moderating role of power distance cultural value during the COVID‐19 pandemic
Authors: Lu Wen‐Min , Kweh Qian Long , Dashnyam Oyunerdene 
Published: August 2024

AbstractWe examine the association between environmental, social, and governance (ESG) and firm performance, taking into account the influence of power distance (PD) cultural orientation among 38 leading technology‐driven global companies between 2017 and 2021. First, we establish an internal network structure through a chance‐constrained network data envelopment analysis (NDEA) model to analyze the R&D investment and eco‐business efficiencies of our sample companies. Among the average DEA score results, eco‐business efficiencies performed better with after COVID‐19 than R&D investment performance. Second, we conduct a truncated regression analysis and find that PD positively (negatively) moderates the impact of social (environmental and governance) factors on R&D investment efficiency (eco‐business efficiency). Overall, we highlight strategic ESG toward their sustainability business success and underline the specific NDEA application in assessing the efficiencies of innovative industries.