bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding and Mastering Multiphysical Fields Toward Dendrite‐Free Aqueous Zinc Batteries
Authors: Du Dayue , Zeng Li , Lan Nan , Luo Dan , Li Xiaolong , He Hanna , Zhang Chuhong
Published: October 2024

Aqueous zinc batteries (AZBs) have emerged as promising candidates for next‐generation grid‐scale energy storage due to their excellent safety, environmental friendliness, and abundance of Zn metal. However, undesired dendrite growth on Zn anodes, resulting from uneven Zn plating/stripping, leads to poor durability and low Coulombic efficiency, posing significant challenges for the practical application of AZBs. Multiple physical fields, the intrinsic driving force governing the distribution of electrons and ions, significantly impact Zn deposition behavior. The underlying mechanisms and regulation strategies related to this phenomenon has not been fully reviewed. This comprehensive review focuses on revealing the key physical fields influencing Zn deposition (including ionic flux, electric field, stress field, and temperature field) and summarizes the most effective control methods. Each approach is thoroughly scrutinized, highlighting its operational mechanisms, benefits, and limitations. Furthermore, the challenges and potential pathways for developing durable Zn anodes are outlined. Through in‐depth analysis of the influences of multiphysical fields on Zn deposition behavior, this review sets the foundation for enhancing the performance of Zn anodes, thereby supporting the advancement of Zn batteries commercialization.
Application of univariate, multivariate, and mixed models to the stability analysis of Ethiopian tetraploid wheat cultivars under irrigation condition
Authors: Gerema Geleta , Mengistu Girma , Bayisa Tilahun , Balcha Urgaya
Published: October 2024

The testing of durum wheat (Triticum turgidum subsp. durum) varieties in different irrigated environments is critical for determining the stability of their performance and adaptation. In this study, 12 popular and newly developed durum wheat varieties were examined in eight irrigated locations with the purpose of investigating genotype–environment interaction and their effect on Ethiopian tetraploid wheat yield stability across diverse environments. The field experiment has two replications with a randomized complete block design. Multivariate (analysis of variance, additive main effect and multiplicative interaction [AMMI], and genetics, genetics × environment [GGE] biplot) and univariate (bi [regression coefficient], S2d [deviation from regression], σi2 [Shukla's stability variance], Wi2 [Wricke's ecovalence], YSi [yield stability statistic], and CVi [coefficient of variance]) analysis methods were used to identify stable varieties. The AMMI analysis showed that the genetic × environmental interaction was highly significant (p > 0.01), while the genotype and environment variation were not significant. The first two principal component axes (IPCA1 and IPCA2) were highly significant (p > 0.01) and contributed 79% of the total GE interaction. Univariate statistical models indicate that Bulala is a stable, high‐yielding variety that can adapt to various environments. GGE biplot analysis revealed that the eight test environments were clustered into three mega‐environments, ranked Bulala as the most stable variety across diverse environments. The results of the combined mean analysis, multivariate and univariate models revealed that Bulala is a high yielder (3.46 tons ha−1) and stable variety across all test environments, while Mukiye variety has a high yield (3.43 tons ha−1) but is not as stable or adaptive to multiple locations. As a result, Bulala was recommended for further demonstration and popularization in test locations and places with similar agroecologies under irrigation.
Temperature‐Tunable Cholesteric Liquid Crystal Optical Combiners for Extended Reality Applications
Authors: Xia Yuanjie , Li Haobo , Vaskeviciute Marija , Faccio Daniele , Karimullah Affar S. , Heidari Hadi , Ghannam Rami
Published: October 2024

Recent advancements in extended reality (XR) showcase their potential ability to enhance the user experience of traditional displays such as liquid crystal displays and organic light‐emitting diode screens. To achieve this goal, the upcoming generation of head‐mounted displays (HMDs) necessitates a seamless transition between different XR modes, including augmented reality (AR) and virtual reality (VR) modes. Herein, an innovative cholesteric liquid crystal‐ (CLC‐) based optical combiner for HMDs is introduced. This approach enables the display device to switch between AR, VR, and transparent modes via temperature modulation. Since CLC materials demonstrate varying optical properties at different temperatures, a real‐time temperature monitoring system that is paired with an external controller is integrated. This allows for dynamic temperature adjustments of the optical combiner and enables smooth transitions between display modes. Furthermore, the Berreman 4 × 4 matrix method is used to simulate the optical properties of the optical combiner, finding strong agreement with the experimental results. The performance of the tunable optical combiners using 450, 532, and 635 nm laser sources is explored. The findings demonstrate that CLC‐based optical combiners can effectively switch between the three distinct modes at corresponding temperatures, paving the way for versatile applications in future HMDs.
Architected Design and Fabrication of Soft Mechanical Metamaterials
Authors: Stalin Thileepan , Plamootil Mathai Aby Raj , Thanigaivel Naresh Kumar , Kanhere Elgar , Dontu Saikrishna , Hiramandala Gumawang , Chooi Aaron , Castillo Ugalde Arturo , Valdivia Y Alvarado Pablo
Published: October 2024

This study proposes a systematic design approach to 3D print soft mechanical metamaterials by tuning material flow behavior and using optimal toolpaths and print parameters. Planar printing tool paths, utilized in layer‐by‐layer printing such as fused deposition modeling (FDM) and prevalently used in most slicing algorithms, severely limit the realization of complex topologies required in metamaterials. Utilizing parametric design principles, the proposed approach employs discrete and continuous 3D freeform tool paths for supported and unsupported direct ink writing (DIW) of elastomeric structures. The resulting textured, soft topologies significantly enhance the performance of various mechanisms in soft robotics and impact energy‐absorbing wearable devices. Various bioinspired structures such as cilia, webs, leaf‐like structures, and lattices are explored using extrusion‐based silicone 3D printing, achieving features with high aspect ratios (L/D ≤ 12) without support. These complex structures are challenging to 3D print using conventional planar toolpaths. To demonstrate the enhanced functionalities enabled by these new topologies, cilia arrays added to suction cups increased the pull‐off forces by 18%. Additionally, 3D‐printed elastomeric lattice slabs used as energy‐absorbing structures reduced the maximum impact peak forces by 85%. Further functionalities, including magnetic, thermochromic, and signal transmission properties, are also showcased using functional soft mechanical metamaterials.
Conducting Human Biology Research Using Invasive Clinical Samples: Methods, Strengths, and Limitations
Authors: Friedrich Volney K. , Hoke Morgan K. , Schurr Thedore G.
Published: October 2024

Invasive biological samples collected during clinical care represent a valuable yet underutilized source of information about human biology. However, the challenges of working with clinical personnel and the invasive nature of sample collection in biomedical studies can hinder the acquisition of sufficiently large sample sizes for robust statistical analyses. In addition, the incorporation of demographic data from participants is crucial for ensuring the inclusiveness of representative populations, identifying at‐risk groups, and addressing healthcare disparities. Drawing on both research experiences and the existing literature, this article provides recommendations for researchers aiming to undertake efficient and impactful projects involving invasive human samples. The suggested strategies include: (1) establishing productive collaborations with clinicians; (2) optimizing sample quality through meticulous collection and handling procedures; and (3) strategically implementing a retrospective model to capitalize on existing invasive sample repositories. When established, cooperative work between clinical health care workers and biological anthropologists can yield insights into human biology that have the potential to improve human health and wellbeing.
Physical Activity and Pregnancy Norms Among Daasanach Semi‐Nomadic Pastoralist Women in Northern Kenya
Authors: Sadhir Srishti , McGrosky Amanda , Ford Leslie B. , Nzunza Rosemary , Wemanya Sylvia N. , Mashaka Husna , Kinyanjui Rahab N. , Ndiema Emmanuel , Braun David R. , Rosinger Asher Y. , Pontzer Herman
Published: October 2024

Objectives

In subsistence populations, high physical activity is typically maintained throughout pregnancy. Market integration shifts activity patterns to resemble industrialized populations, with more time allocated to sedentary behavior. Daasanach semi‐nomadic pastoralists living in northern Kenya face lifestyle heterogeneity due to the emergence of a market center. We investigate how Daasanach women manage the energetic demands of pregnancy with subsistence labor tasks and how market integration relates to variation in energetic demands, physical activity, and coping strategies.

Methods

We conducted nine focus group discussions with 72 pregnant women. We also deployed wrist‐worn fitness trackers with 21 pregnant women in two community types: central or peripheral to the market center to capture variation in market integration. Data from focus group discussions were analyzed using thematic analysis. We used multiple linear regression to examine the relationship between gestational age and physical activity.

Results

We identified themes of increased fatigue, diet restrictions, and assistance with labor tasks during pregnancy. Gestational age negatively predicted mean daily steps, with a decrease of 1160 ± 437 steps per day with each consecutive pregnancy month. Stratified by community type, gestational age only negatively predicted mean daily steps for peripheral communities, with a decrease of 1443 ± 629 steps per day with each consecutive pregnancy month.

Conclusions

Results suggest that physical activity differs with market integration early, but not late, in pregnancy. Daasanach women cope with the energetic demands of pregnancy by reducing physical activity late in pregnancy and receiving assistance with labor tasks from family and neighbors.
Contaminant Exposure Profiles Demonstrate Similar Physiological Effects Across Environments Despite Unique Profile Composition in Formosa, Argentina, and Connecticut, USA
Authors: Chaney Carlye , Mansilla Lisandra , Kubica Marcelina , Pinto‐Pacheco Brismar , Dunn Kathryn , Bertacchi Victoria , Walker Douglas I. , Valeggia Claudia
Published: October 2024

Objective

Exposure to environmental contaminants is globally universal. However, communities vary in the specific combination of contaminants to which they are exposed, potentially contributing to variation in human health and creating “locally situated biologies.” We investigated how environmental exposures differ across environments by comparing exposure profiles between two contexts that differ markedly across political, economic, and sociocultural factors—Namqom, Formosa, Argentina, and New Haven, Connecticut, United States.

Methods

We collected infant urine, maternal urine, and human milk samples from mother–infant dyads in Formosa (n = 13) and New Haven (n = 21). We used untargeted liquid chromatography with high‐resolution mass spectrometry (LC‐HRMS) to annotate environmental contaminants and endogenous metabolites in these samples, and we analyzed the data using exposome‐wide association studies (EWAS) followed by pathway enrichment.

Results

We found statistically significant differences between the chemical exposure profiles of the Argentinian and US mothers, mostly involving pesticides; however, we observed similarities in the infant urine and human milk environmental contaminant profiles, suggesting that the maternal body may buffer infant exposure through human milk. We also found that infants and mothers were exposed to contaminants that were associated with alterations in amino acid and carbohydrate metabolism. Infants additionally showed alterations in vitamin metabolism, including vitamins B1, B3, and B6.

Conclusions

Differences in chemical exposure profiles may be related to structural factors. Despite variation in the composition of exposure profiles between the two study sites, environmental contaminant exposure was associated with similar patterns in human physiology when we considered contaminants comprehensively rather than individually, with implications for metabolic and cardiovascular disease risk as well as infant cognitive development.
Mesoporous Biosilica Beads for Controlled Selenium Nanoparticle Delivery from Collagen‐Chitosan Scaffolds: Promoting Bone Formation and Suppressing Prostate Cancer Growth
Authors: Kaur Kulwinder , Falgous Lucie , Kamal Nezar , Caffrey David , Cavanagh Brenton L. , Koc‐Bilican Behlul , Kaya Murat , Shvets Igor , Curtin Caroline M. , Murphy Ciara M.
Published: October 2024

The controlled delivery of selenium nanoparticles (Se‐NPs) is promising for bone cancer treatment due to their dual benefits in bone regeneration and tumor inhibition, yet achieving an optimal dosing regimen remains challenging. Natural mesoporous biosilica (BS) beads have shown promise for drug delivery due to their microporous structure. This study explores incorporating BS beads into collagen‐chitosan (Coll‐CS) scaffolds, known for bone repair, to control Se‐NP delivery. Two approaches are compared: loading Se‐NPs into BS beads before integrating them into Coll‐CS scaffolds versus directly loading Se‐NPs into Coll‐CS scaffolds. The scaffold properties, Se release kinetics, cytocompatibility, and effects on mesenchymal stem cells (MSCs) and prostate cancer cells (LNCaP) are evaluated. BS bead‐loaded scaffolds provide controlled Se‐NP release and enhanced mechanical properties compared to directly loaded scaffolds. Higher Se‐NP concentrations in BS‐loaded scaffolds effectively promote MSC osteogenic differentiation and mineralisation while inhibiting LNCaP cell viability. In contrast, low Se‐NP concentrations not only induce early osteogenic differentiation but also promote cancer cell proliferation, underscoring the need for optimal Se‐NP concentration and release. These findings suggest that BS bead‐loaded Coll‐CS scaffolds are a promising strategy for controlled Se‐NP delivery, addressing the dual challenges of bone formation and cancer recurrence prevention in bone cancer treatment.
Engineering Single Ni Sites on 3D Cage‐like Cucurbit[n]uril Ligands for Efficient and Selective CO2 Photocatalytic Reduction
Authors: Wang Jingyi , Li Xiyi , Chang Chia‐Hao , Zhang Tianyu , Guan Xuze , Liu Qiong , Zhang Liquan , Wen Ping , Tang Ivan , Zhang Yuewen , Yang Xiaofeng , Tang Junwang , Lan Yang
Published: October 2024

Solar‐driven CO2 selective reduction with high conversion is a challenging task yet holds immense promise for both CO2 neutralization and green fuel production. Enhancing CO2 adsorption at the catalytic centre can trigger a highly efficient CO2 capture‐to‐conversion process. Herein, we introduce cucurbit[n]urils (CB[n]), a new family of molecular ligands, as a key component in the creation of a 3D cage‐like metal (nickel, Ni)‐complex molecular co‐catalyst (CB[7]‐Ni) for photocatalysis. It exhibits an unprecedented CO yield rate of 72.1 μmol ⋅ h−1 with a high selectivity of 97.9 % under visible light irradiation. To verify the origin of the carbon source in the products, a straightforward isotopic tracing method is designed based on tandem reactions. The catalytic process commences with photoelectron transfer from Ru(bpy)32+ to the Ni2+ site, resulting in the reduction of Ni2+ to Ni+. The locally enriched CO2 molecules in the cage ligand CB[7] undergo selective reduction by the Ni+ nearby to form CO product. This work exemplifies the inspiring potential of ligand structure engineering in advancing the development of efficient unanchored molecular co‐catalysts.
Growth Kinetics of Graphene on Cu(111) Foils from Methane, Ethyne, Ethylene, and Ethane
Authors: Wang Meihui , Chul Kim Yong , Meng Yongqiang , Chatterjee Shahana , Bakharev Pavel , Luo Da , Gong Yan , Abadie Thomas , Hyeok Kim Min , Sitek Jakub , Kyung Seong Won , Lee Geunsik , Ruoff Rodney S.
Published: October 2024

Chemical vapor deposition of carbon precursors on Cu‐based substrates at temperatures exceeding 1000 °C is currently a typical route for the scalable synthesis of large‐area high‐quality single‐layer graphene (SLG) films. Using molecules with higher activities than CH4 may afford lower growth temperatures that might yield fold‐ and wrinkle‐free graphene. The kinetics of growth of graphene using hydrocarbons other than CH4 are of interest to the scientific and industrial communities. We measured the growth rates of graphene islands on Cu(111) foils by using C2H2, C2H4, C2H6 and CH4, respectively (each mixed with H2). From such kinetics data we obtain the activation enthalpy (ΔH≠) of graphene growth as shown in parentheses (C2H2 (0.93±0.09 eV); C2H4 (2.05±0.19 eV); C2H6 (2.50±0.11 eV); CH4 (4.59±0.26 eV)); C2Hy (y=2, 4, 6) show similar growth behavior but CH4 is different. Computational fluid dynamics and density functional theory simulations suggest that C2Hy differs from CH4 due to different values of adsorption energy and the lifetime of relevant carbon precursors on the Cu(111) surface. Combining experimental and simulation results, we find that the rate determining step (RDS) is the dissociation of the first C−H bond of CH4 molecules in the gas phase, while the RDS using C2Hy is the first dehydrogenation of adsorbed C2Hy that happens with assistance of H atoms adsorbed on the Cu(111) surface. By using C2H2 as the carbon precursor, high‐quality single‐crystal adlayer‐free SLG films are achieved on Cu(111) foils at 900 °C.
Formation of Multiple Naturally Occurring Meroterpenoid Scaffolds by the Norrish‐Yang Reaction of a p‐Benzoquinone
Authors: Liu Bing‐Yan , Zhang Zi‐Chun , Song Zhi‐Lin , Yuan Hong‐Yi , Li Yuan‐He , Zhang Zhong‐Chao , Yang Zhen
Published: October 2024

The Norrish‐Yang reaction, as a typical example, demonstrates the inherent ability of photochemical reaction to facilitate formation of sterically congested C−C bonds, efficiently crafting intricate ring structure in complex organic molecules. Herein we report for the first time a unified synthesis using quinone‐based acid‐promoted Norrish‐Yang photocyclization for the stereoselective construction of multiple avarane‐type meroterpenoid natural products.
Pre‐Defined Stem‐Loop Structure Library for the Discovery of L‐RNA Aptamers that Target RNA G‐Quadruplexes
Authors: Ji Danyang , Wang Bo , Lo Kwok Wai , Tsang Chi Man , Kwok Chun Kit
Published: October 2024

L‐RNA aptamers have been developed to target G‐quadruplexes (G4s) and regulate G4‐mediated gene expression. However, the aptamer selection process is laborious and challenging, and aptamer identification is subject to high failure rates. By analyzing the previously reported G4‐binding L‐RNA aptamers, we found that the stem‐loop (SL) structure is favored by G4 binding. Herein, we present a robust and effective G4‐SLSELEX‐Seq platform specifically for G4 targets by introducing a pre‐defined stem‐loop structure library during the SELEX process. Using G4‐SLSELEX‐Seq, we identified an L‐RNA aptamer, L‐Apt1‐12, for the Epstein–Barr nuclear antigen 1 (EBNA1) RNA G4 (rG4) in just three selection rounds. L‐Apt1‐12 maintained the stem‐loop structure initially introduced, and possessed a unique G‐triplex motif that is important for the strong binding affinity and specificity to EBNA1 rG4. L‐Apt1‐12 effectively downregulated endogenous EBNA1 protein expression in human cancer cells and showed selective toxicity towards Epstein–Barr virus (EBV)‐positive cancer cells, highlighting its potential for targeted therapy against EBV‐associated cancers. Furthermore, we demonstrated the robustness and generality of G4‐SLSELEX‐Seq by selecting L‐RNA aptamers for the amyloid precursor protein (APP) rG4 and the hepatitis C virus subtype 1a (HCV‐1a) rG4, obtaining high‐affinity aptamers in three selection rounds. These findings demonstrated G4‐SLSELEX‐Seq as a robust and efficient platform for the selection of rG4‐targeting L‐RNA aptamers.
Carbon‐Carbon Bond Activation at Chromium(I): An 11‐Electron Complex Cleaving Dialkynes
Authors: Braun Felix , Bruckhoff Tim , Ott Jonas C. , Ballmann Joachim , Gade Lutz H.
Published: October 2024

An 11‐electron T‐shaped chromium(I) complex was obtained by reduction of a PNP‐supported chromium(II) iodide complex. Its d5 high‐spin electronic structure was characterized employing paramagnetic NMR, EPR, UV/Vis and magnetic measurements (SQUID). The complex readily reacts with conjugated dialkynes to cleave the internal C−C bond, forming the respective acetylide complexes. Varying the alkyne substituents enabled the isolation and characterization of dinuclear dialkynedichromium intermediates which thermally convert to the products.
A P,N flame retardant containing flexible chain segments, imparting excellent toughness and flame retardancy to epoxy resins
Authors: Zheng Penglun , Yang Zijian , Zhao Haihan , Liu Chenguang , Liu Quanyi
Published: October 2024

In order to enhance the flame retardancy of epoxy resin (EP) without affecting its mechanical properties, a phosphorus‐nitrogen synergistic flame retardant (MPCD) was synthesized in this paper by using melamine, paraformaldehyde, 9,10‐dihydro‐9‐oxa‐10‐phospha‐phenanthrene‐10‐oxide (DOPO) and cashew phenol as the raw materials, which was applied to the Ep in order to improve its flame retardancy and toughness. Experiments have shown that only 5% content of MPCD added into the EPs could achieve a significant LOI of 35.8% and successfully obtained a V‐0 rating in UL‐94 testing. In contrast, the PHRR with 5% additional MPCD was 456.4 kW/m2 and the THR was 80.2 MJ/m2, which were 52.6% and 29.4% lower than that of pure EPs, respectively. The PHRR of pure EPs was 963.1 kW/m2 and THR was 113.6 MJ/m2, which indicated that the addition of MPCD improved the EP system's flame retardant performance. The impact strength of pure EPs was 13.5 KJ/m2, and 5% addition of MPCD resulted in a 99% increase in the impact strength of EP/MPCD cured samples up to 26.9 KJ/m2, which was explained by the cashew phenol moiety's flexible chain segments. Furthermore, it is discovered by researching its flame‐retardant mechanism that the addition of MPCD may significantly improve the carbon layer's capacity to form char and maintain thermal stability. It can also efficiently trap free radicals and dilute the combustible gases produced during combustion. The flame retardant can increase the overall safety of the EP system by acting as a biphasic flame retardant in both the gas and the solidified phases at the same time.
Nanoencapsulation of creatine: Unlocking hydrophilic bioactive potential through double emulsification by solvent diffusion
Authors: Bordim Karla Andrade Quintã , Carvalho Júnior José Augusto Bordim , Ramos Vitor Santos , Tavares Maria Inês Bruno
Published: October 2024

Nanotechnology has emerged as a pivotal tool in pharmaceutical research, driving the development of innovative techniques to enhance drug distribution within the body by finely tuning the biopharmaceutical properties of various drugs. Among these techniques, encapsulating biologically active substances in polymeric nanoparticles has garnered significant attention. However, achieving high encapsulation efficiency for hydrophilic molecules remains a formidable challenge, despite their growing importance in treating diverse diseases such as cancer, where nucleic acids, peptides, proteins, and smaller hydrophilic molecules are key players. While some studies have reported improvements in encapsulating hydrophilic drugs, notable examples, like the solid/oil/water ion‐pairing method and the use of calcium phosphate, have shown promise in enhancing encapsulation efficiency for different drugs. Nonetheless, the challenge of preparing aqueous core nanoparticles capable of encapsulating a high percentage of water‐soluble actives persists. Creatine monohydrate, a bioactive compound widely consumed by athletes for its role in increasing muscular phosphocreatine stores, presents an intriguing case. Despite its insolubility in organic media, creatine exhibits limited aqueous solubility, rendering it a suitable candidate for encapsulation in polymeric nanoparticles to improve its aqueous solubility and gastrointestinal absorption. In this study, we aim to produce polymeric nanoparticles containing creatine monohydrate utilizing the double emulsification (W/O/W) method. This promising and efficient approach holds the potential to significantly enhance the aqueous solubility and gastrointestinal absorption of creatine, thereby broadening its clinical application spectrum. Leveraging nanotechnology in this context offers an innovative and potentially impactful strategy to augment the therapeutic efficacy of creatine.
Integrated Pockels Modulators on Silicon Photonics Platform
Authors: Shen Jian , Zhang Yong , Chen Yuqi , Zhou Wenfeng , Zhang Xun , Sun Min , Wang Xin , Zhang Lei , Li Xingfeng , Li Jingchi , Su Yikai
Published: October 2024

Electro‐optic (EO) modulators are essential components in various fields, including optical communication, free‐space communication, microwave photonics, sensing, and light detection and ranging. The EO modulation enables the fast conversion of electric signals into optical signals, facilitating the precise manipulation of light. With advancements in fabrication processing techniques, next‐generation integrated EO modulators have demonstrated substantial improvements in modulation efficiency, bandwidth, and footprint. Here, the latest research progress in integrated EO modulation, focusing on the principle of the Pockels effect, key modulation metrics, novel EO thin‐film material platforms, and innovative device architectures is overviewed. Finally, it is evaluated different schemes and provide perspectives on future trends in developing integrated EO modulators, highlighting both the advantages and challenges of integrated EO modulation, including waveguide and electrode engineering, integrated methods, and other applications for large‐scale photonic integrated circuits.
Multi‐functional tyrosinase inhibitors derived from kojic acid and hydroquinone‐like diphenols for treatment of hyperpigmentation: Synthesis and in vitro biological evaluation
Authors: Ashooriha Morteza , Khoshneviszadeh Mehdi , Kabiri Maryam , Dehshahri Ali , Hassani Bahareh , Ansari Mahsa , Emami Saeed
Published: October 2024

A series of multi‐functional tyrosinase inhibitors derived from kojic acid (KA) and hydroquinone‐like diphenols were designed and synthesized using click chemistry. The in vitro enzymatic assay revealed that all compounds containing a free enolic structure showed excellent activity against tyrosinase (IC50 = 0.14–3.7 µM), being significantly more potent than KA. The most active compounds were catechol (6c) and α‐naphthol (6i) analogs with 138‐ and 96‐fold higher potency than KA. On the other hand, all free phenolic compounds (6a‐c and 6g‐j) derived from aromatic diols showed outstanding free radical scavenging activities superior to KA. Certainly, the α‐naphthol derivative 6i with IC50 = 10.1 µM was the most active anti‐oxidant, being as potent as quercetin. The SAR analysis indicated that the enolic head of the conjugate molecules mainly contributes to the anti‐tyrosinase activity, and the free phenolic part of the molecules can offer anti‐oxidant potency. The anti‐melanogenic assay of the most promising derivative, 6i, against melanoma (B16F10) cells demonstrated that the prototype compound 6i can significantly reduce the melanin content, more effectively than KA. By using a conjugation strategy, we have improved the tyrosinase inhibitory and radical scavenging activity in the multi‐functional agents such as 6i over the parent compound KA, being potentially useful in the treatment of hyperpigmentation and other skin disorders.
CNN‐Based Neurodegenerative Disease Classification Using QR‐Represented Gait Data
Authors: Erdaş Çağatay Berke , Sümer Emre
Published: October 2024

Purpose

The primary aim of this study is to develop an effective and reliable diagnostic system for neurodegenerative diseases by utilizing gait data transformed into QR codes and classified using convolutional neural networks (CNNs). The objective of this method is to enhance the precision of diagnosing neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS), Parkinson's disease (PD), and Huntington's disease (HD), through the introduction of a novel approach to analyze gait patterns.

Methods

The research evaluates the CNN‐based classification approach using QR‐represented gait data to address the diagnostic challenges associated with neurodegenerative diseases. The gait data of subjects were converted into QR codes, which were then classified using a CNN deep learning model. The dataset includes recordings from patients with Parkinson's disease (n = 15), Huntington's disease (n = 20), and amyotrophic lateral sclerosis (n = 13), and from 16 healthy controls.

Results

The accuracy rates obtained through 10‐fold cross‐validation were as follows: 94.86% for NDD versus control, 95.81% for PD versus control, 93.56% for HD versus control, 97.65% for ALS versus control, and 84.65% for PD versus HD versus ALS versus control. These results demonstrate the potential of the proposed system in distinguishing between different neurodegenerative diseases and control groups.

Conclusion

The results indicate that the designed system may serve as a complementary tool for the diagnosis of neurodegenerative diseases, particularly in individuals who already present with varying degrees of motor impairment. Further validation and research are needed to establish its wider applicability.
Differential Radiomics‐Based Signature Predicts Lung Cancer Risk Accounting for Imaging Parameters in NLST Cohort
Authors: Ebrahimpour Leyla , Després Philippe , Manem Venkata S. K.
Published: October 2024

Objective

Lung cancer remains the leading cause of cancer‐related mortality worldwide, with most cases diagnosed at advanced stages. Hence, there is a need to develop effective predictive models for early detection. This study aims to investigate the impact of imaging parameters and delta radiomic features from temporal scans on lung cancer risk prediction.

Methods

Using the National Lung Screening Trial (NLST) within a nested case–control study involving 462 positive screenings, radiomic features were extracted from temporal computed tomography (CT) scans and harmonized with ComBat method to adjust variations in slice thickness category (TC) and reconstruction kernel type (KT). Both harmonized and non‐harmonized features from baseline (T0), delta features between T0 and a year later (T1), and combined T0 and delta features were utilized for the analysis. Feature reduction was done using LASSO, followed by five feature selection (FS) methods and nine machine learning (ML) models, evaluated with 5‐fold cross‐validation repeated 10 times. Synthetic Minority Oversampling Technique (SMOTE) was applied to address class imbalances for lung cancer risk prediction.

Results

Models using delta features outperformed baseline features, with SMOTE consistently boosting performance when using combination of baseline and delta features. TC‐based harmonized features improved performance with SMOTE, but overall, harmonization did not significantly enhance the model performance. The highest test score of 0.76 was achieved in three scenarios: delta features with a Gradient Boosting (GB) model (TC‐based harmonization and MultiSurf FS); and T0 + delta features, with both a Support Vector Classifier (SVC) model (KT‐based harmonization and F‐test FS), and an XGBoost (XGB) model (TC‐based harmonization and Mutual Information (MI) FS), all using SMOTE.

Conclusions

This study underscores the significance of delta radiomic features and balanced datasets to improve lung cancer prediction. While our findings are based on a subsample of NLST data, they provide a valuable foundation for further exploration. Further research is needed to assess the impact of harmonization on imaging‐derived models. Future investigations should explore advanced harmonization techniques and additional imaging parameters to develop robust radiomics‐based biomarkers of lung cancer risk.
Tryptamine‐Derived Schiff Bases: Potent Antimicrobial Agents and Evaluation of Cytotoxicity, ADME and DNA Binding Properties
Authors: Marjanović Jovana S. , Petrović Nevena , Kosanić Marijana , Košarić Jelena , Mirić Ana , Milivojević Nevena , Kostić Marina D. , Divac Vera M.
Published: October 2024

Inspired by the fact that the introduction of indole pharmacophore in organic scaffolds could enable interesting pharmacological properties, the series of novel tryptamine‐derived Schiff bases was synthetized. Tryptamine was used as a source of indole pattern, as well as an example of biogenic amines which chemical transformations lead to the compounds with prominent biological activities. The obtained results for antimicrobial activity against a range of bacterial and fungal strains and cytotoxic activities have revealed that Schiff base TSB4 combining the tryptamine and p‐nitro aryl patterns in the structure showed better antifungal activity at low concentrations than standard drug Fluconazole, while compound TSB6 with molecular scaffold composed from tryptamine and quinoline moieties showed certain cytotoxic effect on HCT‐116 cell line with a strongly expressed selectivity about healthy fibroblast cells, MRC‐5. For these two selected compounds, additional ADME analysis and DNA interactions were performed. to obtain better insight into their pharmacokinetics and determination of binding mode for DNA molecules. As results suggested, strong binding of examined compounds to CT‐DNA was observed, while the ADME screening showed that selected compounds possess suitable physicochemical properties for oral bioavailability and druglikeness.
Chemical Constituents, Antioxidant, and Enzyme Inhibitory Potentials Supported by In‐Silico Studies of the n‐Hexane Extract and Essential Oil of Platycladus Orientalis (L.) Franco Leaves
Authors: Korany Doaa A. , Nilofar Nilofar , Zengin Gokhan , Eldahshan Omayma A.
Published: October 2024

Platycladus orientalis leaves are widely used in traditional medicine to treat different ailments. In the present study, the volatile constituents were obtained by n‐hexane extraction and hydrodistillation. Comprehensive metabolomic profiling was performed using GC‐MS analysis. Furthermore, in vitro antioxidant potential and enzyme‐inhibitory activity were assessed and supported by in silico profiling. Results revealed the predominance of monoterpene hydrocarbons in the hydrodistilled volatile oil (42.30 %) followed by oxygenated sesquiterpenes (32.10 %); with cedrol as the main component. Diterpenoids (49.70 %) and sesquiterpene hydrocarbons (13.43 %) were the major components of the n‐hexane extract; with vulgarol A, a diterpene alcohol, as the major constituent. The volatile oil demonstrated significantly higher antioxidant potential across all assays, including ABTS and DDPH scavenging activity, CUPRAC, and FRAP assays. However, the n‐hexane extract demonstrated broad inhibitory effects against butyrylcholinesterase, tyrosinase, α‐amylase, and α‐glucosidase enzymes, supported by molecular docking study and predictive ADME profiling. Therefore, it may be concluded that the n‐hexane extract is a viable option for treating dysregulated enzyme conditions. In addition, the potential use of volatile oil in the pharmaceutical industries and management of oxidative stress can be inferred. These results warrant further studies to validate the therapeutic potential of the volatile oil and the n‐hexane extract.
Synthesis, Aromatase Inhibition, Cytotoxicity and Molecular Docking Studies of New Fluorinated and Non‐Fluorinated Thiourea Derivatives of Desloratadine
Authors: Sajid Muhammad , Siddiqui Hina , Atif Muhammad , Sharif Ruby , Zafar Humaira , Threadgill Michael D. , Choudhary M. Iqbal
Published: October 2024

Aromatase inhibitors are among the most effective treatment of the breast cancer. Aromatase catalyzes estrogen biosynthesis, which is a long‐term cause of breast cancer. Current study describes the synthesis, purification of 26 new fluorinated and non‐fluorinated thiourea derivatives of desloratadine (5), and their aromatase inhibition activity, cytotoxicity against cancer cell line (MDA‐MB‐231). Compounds 7 v and 7 l exhibited a significant anti‐aromatase activity, while compounds 7 a, 7 g–h, 7 m and 7 u were also significant active against MDA‐MB‐231 cell line. Furthermore, the molecular docking studies revealed that active compounds form key interactions with the crucial amino acid of aromatase active site including TRP224, LEU477, CYS437, ALA438, MET374, ARG115, ILE305, and PHE221, which are responsible for the binding interactions of aromatase. All analogues were new, except 7 b and 7 k and also lacked cytotoxicity against BJ human fibroblasts, with the exception of 5 and 7 x. This selectivity makes this series particularly interesting for further studies.
(+)‐3,6‐Epoxymaaliane: A Novel Derivative of (+)‐Bicyclogermacrene Oxidation Catalyzed by CYP450 BM3‐139‐3 and Its Variants
Authors: Xu Kai , Huang Zheng‐Yu , Sun Chen‐Yi , Pan Jiang , Li Chun‐Xiu , Xu Jian‐He
Published: October 2024

(+)‐Bicyclogermacrene is a sesquiterpene compound found in various plant essential oils and serves as a crucial precursor for multiple biologically active compounds. Many derivatives of (+)‐bicyclogermacrene have been shown to exhibit valuable bioactivities. Cytochrome P450 BM3 from Bacillus megaterium can catalyze a variety of substrates and different types of oxidation reactions, making it become a powerful tool for oxidizing terpenes. In this study, we employed P450 BM3‐139‐3 variant for in vitro enzymatic oxidation of (+)‐bicyclogermacrene, identifying a novel oxidized derivative of (+)‐bicyclogermacrene, named (+)‐3,6‐epoxymaaliane, and an unknown sesquiterpenoid in a ratio of 70 : 30 (by GC peak area). (+)‐3,6‐Epoxymaaliane showed demonstrated antibacterial activities toward Escherichia coli and Staphylococcus aureus. To obtain a better variant of the monooxygenase with a high selectivity to form (+)‐3,6‐epoxymaaliane, we combined alanine scanning with the “Focused Rational Iterative Site‐Specific Mutagenesis” (FRISM) strategy to modify the closest residues within 5 Å radius surrounding the substrate to create a small‐but‐smart library of mutants. Consequently, it gave an optimal variant with 1.6‐fold improvement, in a turnover number (TON) of up to 964 toward (+)‐3,6‐epoxymaaliane production with a higher product selectivity.
Drug‐coated balloons in high‐risk patients and diabetes mellitus: A meta‐analysis of 10 studies
Authors: Verdoia Monica , Nardin Matteo , Rognoni Andrea , Cortese Bernardo
Published: October 2024

Background

Despite the improvements in drug eluting stents (DES) technology, suboptimal results have been observed in certain higher‐risk subsets of patients, as in diabetes mellitus (DM). Drug‐coated balloons (DCB) could represent an alternative to DES in complex populations and anatomies, as in DM.

Aims

The present meta‐analysis aimed at assessing the role of DCBs in patients with diabetes mellitus.

Methods

Studies comparing DCB versus percutaneous coronary revascularization (PCI) with/without DES for PCI in high‐risk populations (>30% DM) were included. The primary efficacy endpoint was overall mortality, secondary endpoints were myocardial infarction, target lesion revascularization (TLR), and major adverse cardiovascular events (MACE).

Results

We included 10 studies, comprising 2026 patients. Among them, 1002 patients (49.5%) were treated with DCB and 1024 with DES implantation. Among the included studies, 6 only enrolled diabetic patients and 2 had a prevalence of diabetes of 50%. At a mean follow‐up of 15.3 months, mortality rate was 3.8% (82 patients), significantly lower with DCB (3.2% vs. 4.9% with DES; odds ratio [OR] [95% confidence interval {CI}] = 0.61 [0.38, 0.97], p = 0.04 phet = 0.34. A similar reduction in favor of DCB was observed for MACE (13.6% vs. 17.6%; OR [95% CI] = 0.79 [0.61, 1.04], p = 0.09, phet = 0.25), while TLR was significantly reduced only in the diabetic‐restricted sub‐analysis.

Conclusion

In the present meta‐analysis, we showed a significant survival benefit and an absolute reduction in MACE and TLR with a DCB‐based strategy as compared to DES in high‐risk patients, mostly with DM. Future large‐scale randomized trials, dedicated to this population, are deserved to confirm our findings.

What is Known

Complex coronary anatomies and diabetes mellitus (DM) represent the pitfall of drug eluting stents (DES), mainly due to inflammatory and thrombotic complications, which should be reduced with drug‐coated balloons (DCB).

What is New

We confirmed a significant advantage of DCB versus DES in the treatment of de novo lesions in high‐risk patients and mainly in DM, reducing overall mortality, MACE and target lesion revascularization.
Interventional Applications for an Ostial Protection Guidewire—The WALPO Technique
Authors: Leibundgut Gregor , Kovacic Mihajlo , Cocoi Mihai , Rinfret Stephane
Published: October 2024

Coronary atherosclerotic lesions at the ostium and proximal coronary arteries pose significant challenges in percutaneous coronary interventions (PCI), especially in the left main coronary artery (LMCA). Guide catheter‐induced damage can lead to severe complications such as vessel dissection or myocardial infarction. Ostial stent placement with drug‐eluting stents offers mechanical support and reduces restenosis but is technically challenging due to the anatomical complexity of the ostium. Complications like longitudinal stent deformation and hydraulic dissection from contrast media are specific concerns. The aortic free‐floating wire technique, expanded in this article to Wire in Aorta for Localization and Protection of the Ostium (WALPO), provides a method for safely locating and protecting the ostium during PCI, aiming to improve the safety and efficacy of PCI at this location.
Precise Synthesis of Single‐Atom Catalysts for Boosting Next‐Generation Advanced Oxidation and Reduction Processes in Sustainable Energy Applications
Authors: Rehman Ata Ur , Zhao Tianyu , Yun Sining , Dou Kecan , Zhu Weidong , Zhang Fumin
Published: October 2024

Single‐atom catalysts (SACs) demonstrate high selectivity, maximal atom utilization, and unique active site configurations, establishing them as a rapidly expanding research field. Understanding the intrinsic relationship between structure and catalytic performance is crucial for the effective use of SACs in catalysis. However, providing a clear explanation of the coordination environment and intrinsic structural regulation of SACs remains a significant challenge for next‐generation renewable energy materials, especially in advanced oxidation and reduction processes critical for sustainable energy applications. This comprehensive review offers an in‐depth overview of the current progress and design of SACs, with a specific focus on precise synthesis, structural control, and the relationship between structure and performance. Furthermore, we elucidate the reaction mechanisms of various catalytic systems and the selective methods used to precisely synthesize and enhance catalytic reactions in the sustainable energy sector. Finally, this review explores the complex challenges in investigating and developing SACs and offers a perspective on solutions in advanced oxidation and reduction technologies for future research to overcome these challenges and achieve practical applications.
Construction of Magnetic FeP/CdS Composites as Photo‐Fenton‐Like Catalysts to Realize High‐Efficiency Degradation of Tetracycline Hydrochloride
Authors: Li Haixia , Li Dan , Yin Chuanqiang , Xu Feigao
Published: October 2024

Photocatalysis is an efficient technology for the degradation of pollutants. However, it still needs to be improved. In this study, magnetic Z‐scheme FeP/CdS composites heterojunction photocatalysts were prepared by a facile hydrothermal method, and the structure, morphology, optical, and photocatalytic properties of the prepared composites were investigated in detail. The efficiency of tetracycline hydrochloride (TCH) removal by FeP/CdS composites was investigated under different reaction conditions (including different FeP and CdS ratios, catalyst dosage, hydrogen peroxide consumption, temperature, and initial pH). FeP/CdS composites exhibited better catalytic performance compared with pure components. The F1Cd1 composite (mass ratio of FeP to CdS is 1:1) achieved 92.7% removal efficiency of TCH; moreover, the F1Cd1 composite still exhibits a high stability after five consecutive cycles. The capture experiments on the active material showed that the removal of TCH by the F1Cd1 composite was mainly dominated by •OH; however, •O2−, e−, and h+ played a minor role, and the degradation mechanism was revealed by combining various characterization techniques. The introduction of cadmium sulfide formed an effective photogenerated carrier transport channel at the interface with the iron phosphide surface, which could accelerate the transfer and separation of photo‐excited e−/h+ pairs, thus improving the degradation performance of TCH.
A Comprehensive Nomogram Integrating Phonocardiogram and Echocardiogram Features for the Diagnosis of Heart Failure With Preserved Ejection Fraction
Authors: Cao Linchun , Guo Xingming , Liao Kangla , Qin Jian , Zheng Yineng
Published: October 2024

Background

Heart failure with preserved ejection fraction (HFpEF) is associated with high hospitalization and mortality rates, representing a significant healthcare burden. This study aims to utilize various information including echocardiogram and phonocardiogram to construct and validate a nomogram, assisting in clinical decision‐making.

Methods

This study analyzed 204 patients (68 HFpEF and 136 non‐HFpEF) from the First Affiliated Hospital of Chongqing Medical University. A total of 49 features were integrated and used, including phonocardiogram, echocardiogram features, and clinical parameters. The least absolute shrinkage and selection operator (LASSO) regression was used to select the optimal matching factors, and a stepwise logistic regression was employed to determine independent risk factors and develop a nomogram. Model performance was evaluated by the area under receiver operating characteristic (ROC) curve (AUC), calibration curve, decision curve analysis (DCA), and clinical impact curve (CIC).

Results

The nomogram was constructed using five significant indicators, including NT‐proBNP (OR = 4.689, p = 0.015), E/e′ (OR = 1.219, p = 0.032), LAVI (OR = 1.088, p < 0.01), D/S (OR = 0.014, p < 0.01), and QM1 (OR = 1.058, p < 0.01), and showed a better AUC of 0.945 (95% CI = 0.908–0.982) in the training set and 0.933 (95% CI = 0.873–0.992) in the testing set compared to conventional nomogram without phonocardiogram features. The calibration curve and Hosmer–Lemeshow test demonstrated no statistical significance in the training and testing sets (p = 0.814 and p = 0.736), indicating the nomogram was well‐calibrated. The DCA and CIC results confirmed favorable clinical usefulness.

Conclusion

The nomogram, integrating phonocardiogram and echocardiogram features, enhances HFpEF diagnostic efficiency, offering a valuable tool for clinical decision‐making.