bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Broad Excitation Fluorescent Microspheres Based on Clusteroluminescence and Their Application in Anti‐Counterfeiting and LED
Authors: He Liang , Nan Xueyan , Wang Peipei , Liu Zhizhou , Wang Tong , Bai Pengli
Published: August 2024

The nonconventional polymer luminophores (NPLs) with white emission are scarce due to the challenges in regulating their clustering structures. In this work, polystyrene is employed to develop a new kind of broad‐emitting clusteroluminescence (CL) through suitable cross‐linking and sulfonation. The sulfonated porous poly(styrene‐co‐divinylbenzene) microspheres (SPDMs) exhibit broad emission spectra (400–700 nm) in the visible light region. Further characterization and theoretical calculations show that through‐space conjugation (TSC) enhanced with high cross‐linking and sulfonation degrees (SD) is the main factor affecting the luminescence of microspheres. Monodisperse SPDMs with a low fluorescence distribution (CV < 5%) across 13 flow channels. Additionally, SPDMs microspheres is employed to construct binary, Cu2+, and pH‐responsive microarrays to encrypt and decode important information. Finally, SPDMs are developed for utilization as single‐component white and warm white light‐converting light emitting diodes (LEDs). These LEDs demonstrate Commission International de L’Eclairage (CIE) coordinates and correlate color temperatures (CCT) of (0.31, 0.321) and (0.383, 0.41), 6611 and 4100 K, respectively. Notably, the color rendering index (CRI) value for SPDMs‐50‐2 in white LED applications reaches an impressive 92. This study provides an economical, simple, and effective design strategy for developing NPLs with both monodispersity and broad emission.
Magnetic‐Field Controllable Displacement‐Type Ferroelectricity Driven by Off‐Center Fe2+ Ions in CaFe3Ti4O12 Perovskite
Authors: Lu Dabiao , Sheptyakov Denis , Cao Yingying , Zhao Haoting , Zhang Jie , Pi Maocai , Ye Xubin , Liu Zhehong , Zhang Xueqiang , Pan Zhao , Jiang Xingxing , Hu Zhiwei , Yang Yi‐feng , Yu Pu , Long Youwen
Published: August 2024

Displacement‐type ferroelectrics usually exclude magnetic d‐electron contribution. Applying a magnetic field thus can little change the electric polarization. Herein, a magnetic ionic driven displacement‐type perovskite ferroelectric CaFe3Ti4O12 is reported. In this compound, magnetic Fe2+ ions contribute to both ferroelectric and antiferromagnetic orders respectively at TC ≈107 and TN ≈ 3.1 K, resulting in coupled electric and magnetic domains. A moderate magnetic field can induce a metamagnetic transition toward ferromagnetic correlations. External magnetic fields can thus readily tune the magnetic and the joint ferroelectric domains, giving rise to exceptional magnetic‐field controllable displacement‐type polarization with a large magnetoelectric (ME) coupling coefficient. This study opens up a new avenue to find unprecedented ME effects in displacement‐type ferroelectrics for numerous applications.
An Optimized Decellularized Extracellular Matrix from Dental Pulp Stem Cell Sheets Promotes Axonal Regeneration by Multiple Modes in Spinal Cord Injury Rats
Authors: Qiu Wei , Zhou Bangyi , Luo Yifei , Chen Yuanting , Chen Zehao , Wu Keke , Wu Hongle , Wu Buling , Guo Jinshan , Fang Fuchun
Published: August 2024

In the field of tissue engineering, the extracellular matrix (ECM) is considered an important element for promoting neural regeneration after spinal cord injury (SCI). Dental pulp stem cells (DPSCs), mesenchymal stem cells that originate from the neural crest, are easy to harvest and culture in vitro, express a variety of neurotrophic factors (NTFs) and deposit a large amount of ECM, making them a good choice for stem cell‐ or ECM‐based treatment of SCI. In the present study, decellularized extracellular matrix (dECM) derived from DPSC sheets is used for the treatment of SCI. Optimization experiments reveal that incubating DPSC sheets with 1% Triton X‐100 for 5 min is the best procedure for preparing DPSC dECM. It is found that DPSC dECM promotes nerve repair and regeneration after SCI and restores hindlimb motor function in rats. Mechanistically, DPSC dECM facilitates the migration and neural differentiation of neural stem cells, as well as M2 polarization of microglia, and inhibits the formation of glial scars. This study suggests that the use of DPSC dECM is a potential strategy for the treatment of SCI.
Highly Efficient Wide Bandgap Perovskite Solar Cells With Tunneling Junction by Self‐Assembled 2D Dielectric Layer
Authors: Lee Minwoo , Lim Jihoo , Choi Eunyoung , Soufiani Arman Mahboubi , Lee Seungmin , Ma Fa‐Jun , Lim Sean , Seidel Jan , Seo Dong Han , Park Ji‐Sang , Lee Wonjong , Lim Jongchul , Webster Richard Francis , Kim Jincheol , Wang Danyang , Green Martin A. , Kim Dohyung , Noh Jun Hong , Hao Xiaojing , Yun Jae Sung
Published: August 2024

Reducing non‐radiative recombination and addressing band alignment mismatches at interfaces remain major challenges in achieving high‐performance wide‐bandgap perovskite solar cells. This study proposes the self‐organization of a thin two‐dimensional (2D) perovskite BA2PbBr4 layer beneath a wide‐bandgap three‐dimensional (3D) perovskite Cs0.17FA0.83Pb(I0.6Br0.4)3, forming a 2D/3D bilayer structure on a tin oxide (SnO2) layer. This process is driven by interactions between the oxygen vacancies on the SnO2 surface and hydrogen atoms of the n‐butylammonium cation, aiding the self‐assembly of the BA2PbBr4 2D layer. The 2D perovskite acts as a tunneling layer between SnO2 and the 3D perovskite, neutralizing the energy level mismatch and reducing non‐radiative recombination. This results in high power conversion efficiencies of 21.54% and 19.16% for wide‐bandgap perovskite solar cells with bandgaps of 1.7 and 1.8 eV, with open‐circuit voltages over 1.3 V under 1‐Sun illumination. Furthermore, an impressive efficiency of over 43% is achieved under indoor conditions, specifically under 200 lux white light‐emitting diode light, yielding an output voltage exceeding 1 V. The device also demonstrates enhanced stability, lasting up to 1,200 hours.
Ionizable Drugs Enable Intracellular Delivery of Co‐Formulated siRNA
Authors: Slaughter Kai V. , Donders Eric N. , Jones Michael S. , Sabbah Sami G. , Elliott Mitchell J. , Shoichet Brian K. , Cescon David W. , Shoichet Molly S.
Published: August 2024

Targeting complementary pathways in diseases such as cancer can be achieved with co‐delivery of small interfering ribonucleic acid (siRNA) and small molecule drugs; however, current formulation strategies are typically limited to one, but not both. Here, ionizable small molecule drugs and siRNA are co‐formulated in drug‐rich nanoparticles. Ionizable analogs of the selective estrogen receptor degrader fulvestrant self‐assemble into colloidal drug aggregates and cause endosomal disruption, allowing co‐delivery of siRNA against a non‐druggable target. siRNA is encapsulated in lipid‐stabilized, drug‐rich colloidal nanoparticles where the ionizable lipid used in conventional lipid nanoparticles is replaced with an ionizable fulvestrant analog. The selection of an appropriate phospholipid and formulation buffer enables endocytosis and potent reporter gene knockdown in cancer cells. Importantly, siRNA targeting cyclin E1 is effectively delivered to drug‐resistant breast cancer cells, demonstrating the utility of this approach. This strategy opens the possibility of using ionizable drugs to co‐deliver RNA and ultimately improve therapeutic outcomes.
Ultrahigh Single Au Atoms Loaded Porous Aromatic Frameworks for Enhanced Photocatalytic Hydrogen Evolution
Authors: Yang Yuting , Xiao Yang , Jiang Li , Li Jiahui , Li Jialu , Jia Jiangtao , Yavuz Cafer T. , Cui Fengchao , Jing Xiaofei , Zhu Guangshan
Published: August 2024

Supported single‐atom catalysts (SACs) are promising in heterogeneous catalysis because of their atom economy, unusual transformations, and mechanistic clarity. The metal SAs loading, however, limits the catalytic efficiency. Herein, an in situ pre‐metallated monomer‐based preparation strategy is shown to achieve ultrahigh Au SAs loading in catalyst formations. The polymerization of single‐atom loaded monomers yield a new porous aromatic framework (PAF‐164) with Au SAs loading up to a record high 45.3 wt.%. SACs of Au‐PAFs exhibit excellent photocatalytic activity in hydrogen (H2) evolution, and the H2 evolution rate of Au100%‐SAs‐PAF‐164 can reach 4.82 mmol g−1 h−1 with great recyclability.
Revisiting the Epitaxial Growth Mechanism of 2D TMDC Single Crystals
Authors: Li Chenyang , Zheng Fangyuan , Min Jiacheng , Yang Ni , Chang Yu‐Ming , Liu Haomin , Zhang Yuxiang , Yang Pengfei , Yu Qinze , Li Yu , Luo Zhengtang , Aljarb Areej , Shih Kaimin , Huang Jing‐Kai , Li Lain‐Jong , Wan Yi
Published: August 2024

Epitaxial growth of 2D transition metal dichalcogenides (TMDCs) on sapphire substrates has been recognized as a pivotal method for producing wafer‐scale single‐crystal films. Both step‐edges and symmetry of substrate surfaces have been proposed as controlling factors. However, the underlying fundamental still remains elusive. In this work, through the molybdenum disulfide (MoS2) growth on C/M sapphire, it is demonstrated that controlling the sulfur evaporation rate is crucial for dictating the switch between atomic‐edge guided epitaxy and van der Waals epitaxy. Low‐concentration sulfur condition preserves O/Al‐terminated step edges, fostering atomic‐edge epitaxy, while high‐concentration sulfur leads to S‐terminated edges, preferring van der Waals epitaxy. These experiments reveal that on a 2 in. wafer, the van der Waals epitaxy mechanism achieves better control in MoS2 alignment (≈99%) compared to the step edge mechanism (<85%). These findings shed light on the nuanced role of atomic‐level thermodynamics in controlling nucleation modes of TMDCs, thereby providing a pathway for the precise fabrication of single‐crystal 2D materials on a wafer scale.
Smart Bioorthogonal Nanozymes: From Rational Design to Appropriate Bioapplications
Authors: Zhang Wenting , Zhu Jiawei , Ren Jinsong , Qu Xiaogang
Published: August 2024

Bioorthogonal 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

In 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

Isoreticular 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

Heterogeneous 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

Lithium‐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

For 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

The 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

Aggregate 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

Organic 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

The 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

Nanomaterials 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

The 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

Plastics 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

Biochemical 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

We 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.
Determinants of corporate leverage and sustainability of small and medium‐sized enterprises: The case of commercial companies in Ecuador
Authors: Gutiérrez‐Ponce Herenia
Published: August 2024

This article studies the determinants of the capital structure of 2694 small Ecuadorian companies throughout their organizational life cycle, breaking down their total liabilities in long‐ and short‐term leverage. The empirical investigation focuses on small and medium enterprises (SMEs) in the commercial sector, with 11,023 observations during the period 2015–2019. The results suggest both that information asymmetry and agency problems are important and that larger size and higher collateral are very important, for accessing long‐term leverage financing. Liquidity is negatively associated with leverage, while higher profitability is positively associated with lower levels of leverage. When internal finances are insufficient, commercial SMEs appear to be highly dependent on short‐term leverage financing, due to difficulties in accessing long‐term leverage. The main conclusion of this study is that small companies' capital structure follows the predictions formulated by the main financing theories, in agreement with the results of previous studies of SMEs.
Alkaloids from Piper longum L and their Anti‐inflammatory Properties
Authors: Phuong Tran Thi Thu , Nhiem Nguyen Xuan , Pham‐The Hai , Phan Uyen Thi Tu , Huong Le Thanh , Nguyen Hai Dang
Published: August 2024

Piper longum L. (PL) is considered one of the most important species traditionally used for treating various ailments and has indicated the presence of alkaloids, flavonoids, and steroids. In this study, we isolated the chemical compounds of PL leaves, and measured NO, IL‐6, iNOS, as well as COX‐2 protein levels. In addition, molecular docking analysis was used to further understand the anti‐inflammation effect of the compounds. We identified one new alkaloid named piperlongumine A (1) with ten known compounds (2‐11). The new compound (1) and two other alkaloids 2E)‐3‐(4‐hydroxy‐3‐methoxyphenyl)‐1‐(pyrrol‐1‐yl) propanone (7) and piperchabamide A (8) significantly reduced NO production in LPS‐stimulated RAW 264.7 cells with the IC50 values of 0.97±0.05 μM, 0.91±0.07 μM, 1.63±0.14 μM, respectively. Moreover, at concentration of 2 μM, compound 1 inhibited approximately 98±0.64 % of IL‐6 secretion, and decreased iNOS and COX‐2 protein level by about 96 and 19 folds compared to LPS treatment alone, respectively. Furthermore, compounds 1, 7, and 8 were predicted to bind and inhibit IL‐6, TNF‐α, and iNOS, with compound 1 showing the highest binding energy of −7.09 kcal/mol. This study provides new insights for potential anti‐inflammatory drug design and warrants further investigation.
Suspected large gall bladder mucocele extending from right hypochondrium up to right iliac region turned out to be gall bladder perforation in a patient with schizophrenia: A rare case report and literature review
Authors: Kumar Ashok , Upadhyay Prashant , Kumar Harendra , Mukherjee Dattatreya , Tiwari Divyansh , Akilimali Aymar
Published: August 2024

Key Clinical Message

This is a challenging case where the surgeon has initially thought it is a gallbladder (GB) mucocele. The surprise finding of a mucocele during an emergency laparotomy highlights the deceptive nature of certain clinical manifestations within the hepatobiliary domain. The intraoperative discovery of a 1×1 cm GB hole on the right lateral wall of the GB fundus revealed an unexpected and significant deviation from the hypothesized pathogenesis.

This case report provides a complicated diagnosis scenario for a hepatobiliary illness aggravated by schizophrenia. Arriving with frequent nausea and vomiting, a 70‐year‐old female patient with schizophrenia missed typical symptoms of gallbladder (GB) disease, including fever and stomach discomfort. This odd look and corroborative imaging showing a cystic lesion in the right belly led to a diagnostic suspicion of a sizable GB mucocele. But a surprising result from an emergency laparotomy revealed a significant GB perforation, different from the previous diagnosis. This case highlights the difficulties in identifying atypical GB diseases, particularly in individuals with mental comorbidities that could conceal or alter the expression of physical symptoms. To confirm or rule out differential diagnosis and allow early and tailored treatments, it emphasizes the need for thorough diagnostic tests, including a complete clinical history, physical examinations, laboratory analysis, imaging modalities, and surgical procedures. This case emphasizes the importance of careful examination in complex medical contexts by stressing the requirement of thorough assessments and comprehensive diagnostic frameworks in navigating challenging clinical situations.
Concise Access to Naphthalene Building Blocks for Naphthylisoquinoline Alkaloid Synthesis via Transition‐Metal Catalysis
Authors: Materis Marios‐Christoforos , van Otterlo Willem A. L. , Berthold Dino
Published: August 2024

A refined and therefore more (cost)efficient synthetic pathway towards 3‐functionalized and orthogonally diprotected 5‐bromo‐1,8‐dioxynaphthalenes is reported. The latter has been very recently employed as highly suitable building blocks for the total synthesis of 5‐(naphtha‐8‐yl)isoquinoline alkaloids. Relying on the application of different transition‐metal catalyzed reactions, namely C−H oxidation, Hartwig borylation and C,C cross‐coupling reactions the desired precursors for future atroposelective synthesis of 5,8’‐naphthylisoquinoline alkaloids and derivatives became accessible in a concise fashion.
Fast and Efficient Sensing of Drugs in Water Using Self‐Assembling D‐Glucamine‐Functionalized Naphthalenediimide and 1,8‐Naphthalimide Fluorophores
Authors: Marullo Salvatore , Arena Riccardo , Lazzara Giuseppe , Cavallaro Giuseppe , Cacioppo Michele , D'Anna Francesca
Published: August 2024

Fast and sensitive quantification of drugs as emerging pollutants in water bodies is a pressing need in contemporary society, to prevent serious environmental concerns that could negatively impact on human health. This explains the surge of interest in this field, and the need to identify highly selective sensing systems. Addressing this issue, in this work we synthesized two D‐glucamine functionalized fluorophores bearing self‐assembling cores, as 1,8‐naphthalimide and naphthalene diimide. We studied their self‐assembly in water solution, and characterized the aggregated formed by determining their stability constant, their morphology and size by scanning electron microscopy, resonance light scattering and dynamic light scattering, as well their solid‐state emission ability. Then, we studied their sensing ability, in water, towards pharmaceutically active compounds such as ciprofloxacin, nalidixic acid, carbamazepine and diclofenac sodium salt, by fluorescence investigation. Data collected show that the self‐assembling ability is significantly affected by the fluorophore structure, which in turn also determines sensing ability. In particular, the naphtalene diimide‐based probe was the most sensitive, with LOD as low as 0.01 μM in the presence of nalidixic acid, which is in line and competitive with more complex sensing systems, recently reported in the literature.
Preparation and Electrochemical Applications of Magnéli Phase Titanium Suboxides: A Review
Authors: Yang Wenduo , Chen Tongxiang , Jia Hanze , Li Jing , Liu Baodan
Published: August 2024

Magnéli phase titanium suboxides (M‐TSOs) belong to a type of sub‐stoichiometric titanium oxides based on the crystal structure of rutile TiO2. They possess a unique shear structure, granting them exceptional electrical conductivity and corrosion resistance. These two advantages are crucial for electrode materials in electrochemistry, hence the significant interest from numerous researchers. However, the preparation of M‐TSOs is uneconomic due to high temperature reduction and other complex synthesis process, thus limiting their practical application in electrochemical fields. This review delves into the crystal structure, properties, and synthesis methods of M‐TSOs, and touches on their applications as electrocatalysts in wastewater treatment and electrochemical water splitting. Furthermore, it highlights the research challenges and potential future research directions in M‐TSOs.
An improved federated transfer learning model for intrusion detection in edge computing empowered wireless sensor networks
Authors: Raja L. , Sakthi G. , Vimalnath S. , Subramaniam Gnanasaravanan
Published: August 2024

Intrusion Detection (ID) is a critical component in cybersecurity, tasked with identifying and thwarting unauthorized access or malicious activities within networked systems. The advent of Edge Computing (EC) has introduced a paradigm shift, empowering Wireless Sensor Networks (WSNs) with decentralized processing capabilities. However, this transition presents new challenges for ID due to the dynamic and resource‐constrained nature of Edge environments. In response to these challenges, this study presents a pioneering approach: an Improved Federated Transfer Learning Model. This model integrates a pre‐trained ResNet‐18 for transfer learning with a meticulously designed Convolutional Neural Network (CNN), tailored to the intricacies of the NSL‐KDD dataset. The collaborative synergy of these models culminates in an Intrusion Detection System (IDS) with an impressive accuracy of 96.54%. Implemented in Python, the proposed model not only demonstrates its technical prowess but also underscores its practical applicability in fortifying EC‐empowered WSNs against evolving security threats. This research contributes to the ongoing discourse on enhancing cybersecurity measures within emerging computing paradigms.
Regulatory Pathways for Qualification and Acceptance of Digital Health Technology‐Derived Clinical Trial Endpoints: Considerations for Sponsors
Authors: Bakker Jessie P. , Izmailova Elena S. , Clement Aude , Hoffmann Steven , Leptak Christopher , Menetski Joseph P. , Wagner John A.
Published: August 2024

Despite widespread interest and substantial investment in the adoption of sensor‐based digital health technologies (sDHTs) for remote data capture in drug development trials, no drug has been approved based on an sDHT‐derived primary endpoint in the United States (US). One reason for this lack of advancement is the complexity of obtaining regulatory endorsement for those endpoints within current US regulatory pathways. The goal of our review is to describe the two choices currently available to pharmaceutical study Sponsors: (i) they may navigate the traditional route of compiling the evidence to support the sDHT‐derived endpoint in their investigational new drug (IND) application, requiring specific expertise and substantial resources; or (ii) they may navigate the drug development tool (DDT) pathway with the goal of qualifying their sDHT‐derived endpoint as a biomarker or clinical outcome assessment applicable to a broader context of use (COU), either alone or as part of a partnership or consortium. We describe the nuances of each pathway; the evidentiary requirements for supporting an sDHT‐derived endpoint and the technology used to capture it; and the impact that an sDHT's regulatory status may have on a Sponsor's decision to use it for data capture. By systematically comparing the IND and DDT pathways, our over‐arching goals are to support the increasing deployment of sDHTs within the clinical research setting and help advance regulatory science in the field of digital medicine.
Population Pharmacokinetics of Trimethoprim/Sulfamethoxazole: Dosage Optimization for Patients with Renal Insufficiency or Receiving Continuous Renal Replacement Therapy
Authors: Leegwater Emiel , Baidjoe Lauren , Wilms Erik B. , Visser Leo G. , Touw Daniel J. , de Winter Brenda C. M. , de Boer Mark G. J. , van Paassen Judith , van den Berg Charlotte H. S. B. , van Prehn Joffrey , van Gelder Teun , Moes Dirk Jan A. R.
Published: August 2024

The goal of the study was to describe the population pharmacokinetics of trimethoprim, sulfamethoxazole, and N‐acetyl sulfamethoxazole in hospitalized patients. Furthermore, this study used the model to optimize dosing regimens of cotrimoxazole for Pneumocystis jirovecii pneumonia and in patients with renal insufficiency or with continuous renal replacement therapy (CRRT). This was a retrospective multicenter observational cohort study based on therapeutic drug monitoring (TDM) data from hospitalized patients treated with cotrimoxazole. We developed two population pharmacokinetic (POPPK) models: a model of trimethoprim and an integrated model with both sulfamethoxazole and N‐acetyl sulfamethoxazole concentrations. Monte Carlo simulations were performed to determine the optimal dosing regimen. A total of 348 measurements from 168 patients were available. The estimated glomerular filtration rate (eGFR) and CRRT were included as covariates on the clearance of all three compounds. Cotrimoxazole TID 1,920 mg and b.i.d. 2,400 mg led to sufficient exposure for infections with P. jirovecii in patients without renal insufficiency. To reach equivalent exposure, a dose reduction of 33.3% is needed in patients with an eGFR of 10 mL/minute/1.73 m2 and of 16.7% for an eGFR of 30 mL/minute/1.73 m2. N‐acetyl sulfamethoxazole accumulates in patients with a reduced eGFR. CRRT increased the clearance of sulfamethoxazole, but not trimethoprim or N‐acetyl sulfamethoxazole, compared with the median clearance in the population. Doubling the sulfamethoxazole dose is needed for patients on CRRT to reach equivalent exposure.
CDC: Parents think the kids are alright, but they aren't
Authors: Knopf Alison
Published: August 2024

While it's tempting to let drug users — including young adults and adolescents — use in solitude (out of sight, in other words), bear in mind one thing: as unpleasant as it sounds, having naloxone on hand and knowing your teen is using drugs can save his or her life, if someone is there when the drug is administered.
Parent‐guided early intervention for preterm babies improves motor skills
Authors: Knopf Alison
Published: August 2024

Researchers have concluded, unsurprisingly, that preterm infants randomized to enhanced developmental support had better developmental outcomes than infants whose caregivers did not receive the training. The researchers started with the very safe hypothesis that enhanced developmental support provided by caregivers — mothers, mainly — would improve the outcomes of infants born preterm to families with low income. They used an intervention which included training and was provided by a multidisciplinary team with specialized knowledge of early intervention and infant development. The training began in the Neonatal Intensive Care Unit (NICU) and continued after the infant was discharged.