bluuebunny/crossref_metadata_2025 huggingface dataset:
Periodic Phase‐Separation During Meniscus‐Guided Deposition
Authors: de Bruijn René , Darhuber Anton A. , Michels Jasper J. , van der Schoot Paul
Published: February 2025

The meniscus‐guided coating (MGC) of a binary fluid mixture containing a solute and a volatile solvent that undergoes spinodal decomposition is investigated numerically. Motivation is the evaporation‐driven deposition of material during the fabrication of organic thin film electronics. A transition in the phase‐separation morphology from an array of droplet‐shaped domains deposited periodically parallel to the slot opening to isotropically dispersed solute‐rich droplets with increasing coating velocity is found. This transition originates from the competition between the injection of the solution into the film and diffusive transport that cannot keep up with replenishing the depletion of solute near the domains. The critical velocity of the transition is determined by the ratio of two length scales: i) the spinodal length, which implicitly depends on the evaporation rate and the properties of the solution, and ii) a depletion length proportional to the ratio of the diffusivity of the solute and the coating velocity. For coating below the critical velocity, the domain size and deposition wavelength are proportional to a solute depletion length. This competition in the mass transport is inherent in any kind of unidirectional deposition of demixing solutions and the findings should therefore apply to many coating techniques and forced demixing processes.
Improved Flat Frequency Response of Conical Shellular Metamaterial‐Enabled Flat Panel Loudspeaker
Authors: Kwon Hyunhee , Kim Dong Hwi , Cho Wan‐Ho , Kim Miso
Published: February 2025

A piezoelectric flat panel loudspeaker operates by utilizing a piezoelectric film actuator to vibrate a diaphragm, offering advantages in miniaturization, embedding, and spatial efficiency. However, achieving high sound pressure levels (SPL) at low frequencies and maintaining a flat frequency response remains challenging. This study presents a Conical Shellular Sandwich Diaphragm (CSSD), derived from conical shellular metamaterials, which combines lightweight properties with high stiffness. The CSSD enhances low‐frequency SPL and improves frequency response flatness through structural optimization, eliminating the need for complex systems. Finite element analysis identifies optimal geometric parameters for the CSSD unit cell, resulting in an 11.5 dB increase in low‐frequency SPL and a 53% reduction in peak‐dip deviation across the 200 Hz–20 kHz range, compared to a conventional Flat Panel Diaphragm (FPD). These enhancements stem from a reduction in the CSSD's effective mass (meff) to one‐hundredth of an equivalent‐volume FPD and an increase in effective bulk modulus (keff) relative to structures with the same mass. Experimental tests of 3D‐printed CSSD and FPD prototypes integrated with piezoelectric actuators match the simulation results. This study demonstrates the potential of mechanical metamaterials to address design limitations in flat panel loudspeakers, enabling improved sound quality and simpler configurations for commercial use.
Film‐Based Multi‐Photon Lithography for Efficient Printing of Electromagnetic Surface Structures
Authors: Zyla Gordon , Papamakarios Savvas , Zografopoulos Dimitrios C. , Christoforidou Anna , Kenanakis George , Farsari Maria , Tsilipakos Odysseas
Published: February 2025

This study introduces an approach, termed film‐based multi‐photon lithography (MPL), for the efficient fabrication of electromagnetic surface structures. Unlike conventional MPL, which utilizes droplet‐shaped photosensitive volumes for the fabrication of 3D structures, this method employs photosensitive thin films to minimize the influence of axial voxel dimensions. This modification enables rapid printing of 2D surface structures over large areas with dry objective lenses, achieving feature sizes as small as 250 nm.

The versatility of film‐based MPL is demonstrated through the fabrication of terahertz metasurfaces featuring metallized split‐ring resonators on glass substrates, as well as mid‐infrared metasurfaces comprising dielectric pillars on silicon‐on‐insulator substrates. These structures are successfully produced over areas spanning cm2 and mm2 using a hybrid organic–inorganic photoresist within a maximum processing time of 2 h. Particularly with hybrid organic‐inorganic photoresists, additional post‐processing via calcination shows significant potential for producing purely inorganic periodic structures with reduced feature sizes. Moreover, film‐based MPL enables the fabrication of high‐resolution 2.5D surface structures, which are challenging to achieve using conventional lithographic methods. Experimental results are analyzed through profilometry, scanning electron microscopy, Fourier transform infrared spectroscopy, and energy‐ dispersive X‐ray spectroscopy, while simulations confirmed the electromagnetic responses of the metasurfaces.
Accessing a Carboxyl‐Anhydride Molecular Switch‐Mediated Recyclable PECT Through Upcycling End‐of‐Use PET
Authors: Zhang Hongjie , Fang Mingyuan , Niu Shihao , Wang Miaomiao , Gao Mingyu , Cai Qiuquan , Wang Gangqiang , Chen Wenxing , Lu Wangyang
Published: February 2025

Poly(ethylene terephthalate) (PET), with an annual production of exceeding 70 million tons, is mainly utilized in disposable fields and subsequently contribute to severe environmental pollution. Conventional chemical recycling, which typically involves depolymerizing polymer into monomers, is limited due to the intricate recycling process, excess using unrecyclable solvents and low polymer conversion. Inspired by protein's molecular switches, we propose a novel polymer‐to‐polymer recycling strategy based on polycondensation principles upcycling waste PET to high‐value recyclable poly(ethylene‐co‐1,4‐cyclohexanedimethanol terephthalate) derivatives containing molecular switches. Upon deactivating the molecular switch, an acidification reaction occurs within the system, leading to a rapid and controllable reduction in molecular weight due to the imbalance of reactive group. Conversely, activating the molecular switch triggers a ring‐closing reaction that detaches acid anhydrides, bringing about equal molar ratio of groups and thereby facilitating an increase in molecular weight. By simply incorporating a molecular switch into condensation products based on melt polycondensation, closed‐loop recycling capability is achieved without necessitating excessive organic solvents or complex depolymerization processes. The present study not only presents a novel pathway for end‐of‐use PET upcycling but also introduces an innovative concept of molecular switching for the closed‐loop recyclability of condensation polymers, thereby demonstrating significant potential for large‐scale implementation.
Hydrierung Organischer Moleküle mittels Direkter Mechanokatalyse
Authors: Mayer Maike , Wohlgemuth Maximilian , Salomé Straub Anastasia , Grätz Sven , Borchardt Lars
Published: February 2025

Mechanochemische Hydrierung ungesättigter C−C‐ und C−O‐ sowie N−O‐ und C−X‐Bindungen wird ohne Verwendung von Lösemitteln, Liganden oder Katalysatorpulvern mittels einer Kugelmühle erfolgreich durchgeführt. Die Wände des Mahlbechers werden galvanostatisch mit unterschiedlichen Katalysatoren beschichtet, was ein simples Recyceln und Wiederverwenden des Katalysators ermöglicht. Wasserstoff wird der Reaktion direkt in Gasform zugeführt, wodurch Wasserstoffdonoren obsolet werden, die üblicherweise zur Abfallproduktion und einer nicht optimalen Atomökonomie beitragen. Dieser Ansatz ermöglicht vollständigen Umsatz bei der Hydrierung ungesättigter Kohlenstoff‐Kohlenstoff‐Bindungen in lediglich 20 min bei Raumtemperatur und Drücken ab 1.5 bar. Carbonyle, Nitrogruppen und Organohalogenide werden in Zeiten bis zu 12 h hydriert. Mechanistische Untersuchungen unterstützen die Hypothese, dass diese Reaktion nach etablierten Mechanismen abläuft. Final wird die Chemoselektivität der Reaktion an verschiedenen reduzierbaren funktionellen Gruppen untersucht, was die Versatilität und Effizienz dieser lösemittelfreien, mechanochemischen Reaktion mit einfachem Katalysatorrecycling unterstreicht.
Reinventing the High‐rate Energy Storage of Hard Carbon: the Order‐degree Governs the Trade‐off of Desolvation‐Solid Electrolyte Interphase at Interfaces
Authors: Liu Meiqi , Jiang Zhou , Wu Xiangyu , Liu Fuxi , Li Wenwen , Meng Detian , Wei Aofei , Nie Ping , Zhang Wei , Zheng Weitao
Published: February 2025

In alkali metal‐ion battery systems, the electrolyte enables being decomposed on the electrode surface to form a solid electrolyte interphase (SEI) film. In principle, a thin, uniform SEI film facilitates the enhancement of the performance of the cell. Herein, we successfully distinguish the effects of desolvation behavior and SEI process on the kinetic behavior of hard carbon (HC) electrodes by adopting the strategy of switching the electrolyte interface model to modulate the properties of SEI film. Our findings reveal that although the SEI film is generally responsible for significantly affecting the HC's capacity, the equally crucial desolvation process must not be overlooked. The trade‐off between the two factors is found to be determined by the structural features of HCs. Specifically, in the context of a more ordered HC, the desolvation of ions emerges as the rate‐limiting step for Na+ transport across the electrode/electrolyte interface, exerting a more pronounced effect rather than the SEI. Thus, a close correlation was established between the SEI, solvation structure effects, hard carbon structure, and electrode performance. This linkage is thereof fundamental for the strategic design of electrolytes and the targeted enhancement of cell performance.
Revealing the Potential of a Chimaera: a Peptide‐Peptide Nucleic Acid Molecule Designed To Interact with the SARS‐CoV‐2 Nucleocapsid Protein
Authors: Tino Angela Sofia , Quagliata Michael , Schiavina Marco , Pacini Lorenzo , Papini Anna Maria , Felli Isabella C. , Pierattelli Roberta
Published: February 2025

Numerous RNA‐binding proteins have modular structures with folded domains and intrinsically disordered regions, making their atomic characterization difficult. This severely limits the investigation of their modalities of interaction as well as the evaluation of possible ways to interfere with this process. We report herein a rational strategy for the design and synthesis of a ligand able to interfere with the protein function, monitoring the interaction through solution nuclear magnetic resonance spectroscopy. Our approach employs a chimaera composed of two different fragments, a peptide and a peptide‐nucleic acid, allowing to incorporate in the resulting molecule key features to address RNA‐protein interactions. Focusing on two constructs of the Nucleocapsid protein from SARS‐CoV‐2, the globular N‐terminal domain and a more extended one comprising also two flanking intrinsically disordered regions, we demonstrate the enhanced affinity of the designed peptide‐peptide nucleic acid chimaera for the protein compared to a related peptide lacking π–π stacking contributions within the chain. Furthermore, we emphasize the increasingly recognized relevant and synergistic role of the intrinsically disordered regions in protein‐ligand interaction.
Insights into Co‐Catalytic Single‐Atom‐Support Interactions for Boosting Sulfur Reduction Electrocatalysis
Authors: You Tianqi , Sun Huiyue , Hua Wuxing , Geng Shuang , Hu Zhonghao , Shang Yongqi , Huang Qunzhi , Dai Shuxi , Chen Ke
Published: February 2025

The use of single‐atom catalysts (SACs) with abundant electrocatalytic centers has been identified as the most desirable strategy to inhibit the shuttle effect in lithium‐sulfur batteries. However, the co‐contribution from SAC and its support via their interactions for accelerating the sulfur reduction reactions (SRR) has so far received little attention, since the underlying mechanism remains elusive. Herein, guided by density functional theory calculations, Cobalt‐SACs supported on a graphitic carbon nitride substrate (Co‐GCN), are selected to elucidate the co‐catalytic role in enhancing the SRR. The inherent high charge polarity of GCN, combined with its unique tri‐s‐triazine structure, offers multiple binding sites for lithium polysulfides (LiPSs) through Li−N bonds, as well as N/C‐coordinated frameworks for anchoring Co‐SACs. This structural configuration further amplifies the interaction with LiPSs via Co−S bonds. Consequently, both Co‐SACs and GCN actively participate in sulfur reduction electrocatalysis by binding LiPS intermediates, lowering the conversion energy barrier of SRR. Benefitting from such unique synergy, the battery demonstrates outstanding rate performance (718.9 mAh g−1 at 5.0 C) and yields a high areal capacity of up to 13.8 mAh cm−2 (1584.3 mAh g−1) under a high areal sulfur loading of 8.7 mg cm−2 but a low electrolyte/sulfur ratio of 5.0 μL mg−1.
In Situ Growth of Iron‐Based MOFs on Carboxylated Cotton Fabrics for Removal of Rhodamine B by Photocatalysis
Authors: Chen Xinpeng , Wu Jiabao , Chu Runshan , Xing Lili , Sun Yurong , Wang Jiapeng , Chen Guoqiang , Xing Tieling
Published: February 2025

There are tremendous potential in utilizing metal–organic frameworks (MOFs) for enhancing the removal of organic dyes from wastewater. However, the recovery of powdered catalysts poses a significant challenge. In this study, four different iron‐based metal–organic frameworks (Fe‐MOFs) were synthesized by growing them in situ on carboxylated cotton fabrics. Scanning electron microscopy (SEM), X‐ray diffraction (XRD), and X‐ray photoelectron spectroscopy (XPS) were employed to conduct a comprehensive characterization of the Fe‐MOFs. The dye removal rate of Fe‐MOF@Cotton was meticulously determined by comprehensively investigating various factors including the concentration of the dye and hydrogen peroxide (H2O2), the pH value of the solution, and the temperature. Extensive catalytic degradation experiments were conducted to assess the performance of Fe‐MOF@Cotton. The results vividly demonstrated that Rhodamine B (RhB) was photocatalytically degraded by Fe‐MOF@Cotton with remarkable efficiency in the presence of H2O2. Notably, the four MOF fabric composites were capable of degrading over 97% of RhB with a concentration of 20 mg/L. Moreover, these composites exhibited excellent reusability, strongly indicating their significant potential for application in the dye wastewater treatment industry. This not only highlights the effectiveness of Fe‐MOF@Cotton in dye removal but also offers a promising avenue for addressing the challenges associated with dye‐contaminated wastewater treatment.
A Multi‐methodological Evaluation of Transition Metal‐Nitro Schiff Base Complexes: From Computational Predictions to Biological Testing
Authors: Michael Samuel , Muniyandi Vellaichamy , Jeyaraman Porkodi , Jancy Jacqulin Veda , Raman Natarajan
Published: February 2025

A new nitrobenzothiazole incorporated Schiff base ligand, (E)‐1‐(4‐chlorophenyl)‐N‐(6‐nitrobenzo[d]thiazol‐2‐yl)methanimine (formed by the condensation reaction of 4‐chlorobenzaldehyde and 2‐amino‐6‐nitrobenzothiazole), has been created to explore its biological activity. Using this ligand, a few transition metal(II) complexes have been fabricated in order to find out the biological effect due to chelation. These complexes were characterized using standard analytical and spectroscopic methods, which established the presence of imine group and octahedral geometry of the metal complexes. The quantum mechanical computation for these complexes has been carried out in addition to optimized geometry and DFT calculations applying Gaussian 09 W software. Additionally, a molecular docking investigation for 3v03 bovine serum albumin enzyme receptor has been done. The metal complexes and Schiff base ligand have strong interactions with protein receptors. There is a strong tendency for all metal complexes to bind to CT DNA through the intercalation pathway. In vitro and in vivo screening tests expose that the complexes are more active than the free Schiff base.
Synthesis, Characterization, Cytotoxicity, Biological Evaluation, DFT Calculations, and Molecular Docking of a Novel Schiff Base and Its Pt(IV) Complex
Authors: Mahdi Al‐Hassani Rehab Abdul , Al‐Sarray Ali J.
Published: February 2025

A novel Schiff base ligand derived from 1,2,4‐triazole‐3‐thione was synthesized and complexed with platinum (IV) ion to enhance its bioactivity. Characterization techniques, including FTIR, NMR, UV‐Vis, and mass spectrometry, confirmed the formation of Schiff base molecule and revealed that its Pt(IV) complex has an octahedral geometry. The antibacterial and antifungal activity of the synthesized compounds was evaluated against Staphylococcus epidermidis, Pseudomonas aeruginosa, Candida albicans, and Aspergillus flavus, with the metal complex outperforming the ligand. The antioxidant properties were evaluated using a DPPH assay, with the Pt(IV) complex demonstrating superior radical‐scavenging ability. Cytotoxicity studies via MTT assays on MCF‐7 breast cancer cells showed dose‐dependent reductions in cell viability, with the Pt(IV) complex inducing enhanced antiproliferative effects compared with the ligand. DFT calculations were performed to investigate the electronic properties of the compounds, and molecular docking studies were conducted against the alpha estrogen receptor (PDB ID: 3ERT) to predict their binding affinities. The results demonstrated that the Pt(IV) complex exhibited higher biological activity than the free ligand, suggesting its potential as an effective therapeutic agent.
Synthesis of Hyper‐Crosslinked Polymers From 9‐Bromophenanthrene and Octavinylsilsesquioxane for High Adsorption of Rhodamine B, Congo Red and I2 Vapor Assisting With CBr⋯π Interaction
Authors: Gao Rui , Zhang Shen , Liu Hailong , Yang Zhizhou , Wu Yue , Gao Sheng , Li Mei , Shao Hanlin , Wu Mingjie
Published: February 2025

Disposal of dye‐contaminated wastewater has become an imperative issue. Synthesis of novel materials for larger‐capacity removal of those contaminants assisting by special interaction is a significant challenge. In this paper, a series of hyper‐crosslinked poly 9‐bromophenanthrene hybrids (HCPs) were synthesized by combination of 9‐bromophenanthrene (9BP) and octavinylsilsesquioxane (OVS) via Friedel‐Crafts alkylation reaction. The synthesized HCPs were well characterized. The results illustrated that HCPs were porous polymer hybrids consisting of micropores and mesopores with the apparent surface areas (SBET) in range of 980.0–1010.6 m2g−1, and the micropore and mesopore widths located at 1.42 and 4 nm. Dye adsorption disclosed that the adsorbed amounts of rhodamine B (RB) and Congo red (CR) on HCP‐2 respectively arrived at 2646.0 ± 37.4 and 1550.0 ± 38.5 mg g−1, ascribing to the interactions of pore filling, hydrogen bonds, ππ stacking, electrostatic attraction, especially the CBr⋯π interaction between the resulting polymers and the dye molecules of RB and CR. Moreover, HCP‐2 exhibited larger adsorbed amount of iodine vapor arriving at 179.9 ± 2.6 wt%. This work provided an innovative strategy to design new adsorbents for larger‐amount removal of contaminants from the environment.
Regioselective C‐H Thio‐ and Selenocyanation of Pyrazolo[1,5‐a]pyrimidines
Authors: Pattanayak Paramita , Khandelwal Harshil , Basappa Shreeja , Chatterjee Tanmay
Published: February 2025

Herein, we report a metal‐free, N‐chlorosuccinamide (NCS)‐mediated, highly efficient, and regioselective C−H thio‐ and selenocyanation of pyrazolo[1,5‐a]pyrimidines using KSCN and KSeCN respectively. The transformation required only NCS (1 equiv) and operated under mild conditions such as ambient temperature and aerobic atmosphere. This method was found to be highly efficient for the C−H thiocyanation of pyrazolo[1,5‐a]pyrimidines as compared to our previously developed photocatalytic strategy and also enabled the C−H selenocyanation of the substrates to access 3‐selenocyanatopyrazolo[1,5‐a]pyrimidines, for the first time, which was unexplored or unsuccessful so far. A wide variety of new pyrazolo[1,5‐a]pyrimidines bearing –SCN or –SeCN functional groups were synthesized in good to excellent yield. The developed protocol features a broad substrate scope, high functional group tolerance, mild conditions, high to excellent yield of products, efficient scalability, and synthetic diversifications of products. Mechanistic studies revealed an ionic pathway for this reaction.
Acoustic Particle Patterning Aided by Phase‐inversion for Efficient Structuring of Low‐Tortuosity Battery Electrodes
Authors: Zhang Yifan , Shahriar M , Hu Shan
Published: February 2025

Texturing the battery electrode to create low‐tortuosity ordered structures can significantly improve the sluggish mass transport in thick electrodes (areal mass loading > 20 mg/cm2) during the energy storage electrochemical reactions. In this work, we presented an efficient and effective method to regulate the electrode structure by creating aligned channels throughout the thickness of the electrode. The method combines acoustic manipulation of particles and nonsolvent induced phase inversion and is highly compatible with a wide range of materials used in various battery chemistries. The textured electrodes show better structural integrity compared to electrodes of similar mass loading made with acoustic patterning only and with conventional solution casting. Compared with electrodes made with phase inversion only, it exhibits lower tortuosity, enhanced ion transport/kinetics, better rate capability and cyclic stability.
Systematic Development of a Detergent Toolbox as an Alternative to Triton X‐100
Authors: Yadav Varsha , Lunson Mary , Shore Hannah , Aucamp Jean
Published: February 2025

Detergents are routinely included in protein purification processes to inactivate enveloped viruses that may arise from adventitious or endogenous contamination. The detergent Triton X‐100 (TX‐100) has been widely used as part of the production process for therapeutic proteins. However, recent ecological studies indicate that TX‐100 and its metabolites detrimentally impact aquatic organisms, thus alternative detergents for viral inactivation are required. The overall aim of this study was to identify one or more detergents that are a suitable replacement for TX‐100 in the viral inactivation step. In stage one, 16 potential alternatives were identified and screened against TX‐100 using multiple criteria such as solubility, feasibility of virus inactivation, critical micelle concentration, and storage conditions. The multi‐criteria decision analysis (MCDA) methodology was used to identify four candidates for the second stage assessment. In stage two, a detailed evaluation was undertaken and two candidates C16‐AO, and C11/15‐sEO9, were found to be practical alternatives to TX‐100 for use in protein therapeutic production processes for inactivating enveloped viruses. In addition, C13‐EO8 demonstrated good viral inactivation capability and warrants further investigation in detergent clearance and impact on product quality.
Prediction Model for Brain Metastasis in Patients With Metastatic Germ‐Cell Tumors
Authors: Salous Tareq , Ashkar Ryan , Althouse Sandra K. , Cary Clint , Masterson Timothy , Hanna Nasser H. , King Jennifer , Einhorn Lawrence H. , Adra Nabil
Published: February 2025

Background

Brain metastasis (BM) is an independent adverse prognostic factor in metastatic germ cell tumors (mGCT). We aimed to establish an effective and practical BM prediction model.

Patients and Methods

Between January 1990 and September 2017, 2291 patients with mGCT who were treated at Indiana University were identified. Patients were divided into two categories: BM present (N = 154) and BM absent (N = 2137). Kaplan–Meier methods were used to analyze progression free survival (PFS) and overall survival (OS). Logistic regression was used to determine a predictive model for whether BM was present. The data was separated into training and validation datasets with equal numbers of events in each.

Results

The 2‐year PFS and OS for patients with versus without BM: 17% versus 65% (p < 0.001) and 62% versus 91% (p < 0.001) respectively. Among the 154 patients with BM, 64 (42%) had radiation only (whole‐brain radiotherapy or gamma knife), 22 (14%) had BM‐surgery only, 14 (9%) had both radiation and BM‐surgery. 54 patients (35%) did not receive local therapy for BM. Stepwise selection was used to determine the best model with p < 0.15 as the entry and staying criteria. The model with the largest ROC AUC was used moving forward. The model was tested in the validation dataset. A model was generated including age at diagnosis ≥ 40, choriocarcinoma predominant histology, pre‐chemotherapy hCG≥ 5000, presence of pulmonary metastases size < 3, or ≥ 3 cm, and presence of bone metastasis. Patients with score of 0, 1, 2, 3, 4, 5, 6, 7, 8 points had a 0.6%, 1.4%, 3.5%, 8.2%, 18.3%, 36%, 58%, 78%, 90% probability of having BM, respectively.

Conclusions

The prediction model developed in this study demonstrated discrimination capability of predicting BM occurrence in mGCT and can be used to identify high‐risk patients.
Reactivity of 2‐((3‐Cyano‐4‐(4‐Fluorophenyl)‐6‐(Naphthalen‐2‐yl)Pyridin‐2‐yl)Oxy)Acetohydrazide Toward Some Reagents for Preparing a Promising Anticancer Agents and Molecular Docking Study
Authors: Khalaf Hemat S. , El‐Manawaty May A. , Kotb Eman R. , Abdelrahman Mohamad T. , Shamroukh Ahmed H.
Published: February 2025

This study aims to synthesize a novel series of nicotinonitriles incorporating pyrazole, oxadiazole, isoindoline, thiadiazole, and thiazolidinone moieties (compounds 4–11). The synthesis utilizes 2‐((3‐cyano‐4‐(4‐fluorophenyl)‐6‐(naphthalen‐2‐yl)pyridin‐2‐yloxy)acetohydrazide (3) as a key starting material to enhance potential anticancer activity. The molecular structures of compounds 4–11 were elucidated using various spectroscopic techniques and elemental analysis. The synthesized compounds were screened for cytotoxic activity against human cancer cell lines, including MCF‐7 (human Caucasian breast adenocarcinoma), MDA‐MB‐231 (breast ductal carcinoma), and PC‐3 (prostate cancer), using an MTT assay with doxorubicin as a reference drug. Among the tested compounds, 4, 6b, and 7 exhibited the most promising cytotoxic activity, with IC50 values ranging from 22.5 to 91.3 µM. The safety profile of these compounds was further evaluated using noncancerous human skin fibroblast cells (BJ‐1). Notably, 6b and 7 demonstrated high selectivity indices (SI > 3) against cancer cells, indicating preferential cytotoxicity, whereas compound 4 lacked selectivity. Docking studies, consistent with experimental data, further supported the potential anticancer properties of compounds 4, 6b, and 7. Given their significant inhibitory effects on cancer cell lines with minimal to no impact on normal cells, compounds 6b and 7 are strong candidates for further drug development as potential anticancer agents.
Ti3C2 MXene‐Derived TiO2/g‐C3N4 Heterojunctions for Highly Efficient Photocatalytic H2 Generation
Authors: Shuaib Adam Shuaib Suhaib , Lu Yao , Wang Qin , Chen Yongshuai , Cai Mengdie , Wei Yuxue , Sun Song
Published: February 2025

Metal‐free graphite carbon nitride (g‐C₃N₄), has garnered significant attention for photocatalytic water‐splitting applications. However, its practical use is hindered by the rapid recombination of photogenerated electrons and holes, which limits its photocatalytic efficiency. In this study, series photocatalysts were designed by coupling g‐C₃N₄ with TiO2 derived from Ti3C2 MXene of varying thickness. The heterojunctions were synthesized through the calcination method, leveraging the unique properties of single‐layer and multilayer Ti3C2 MXene as precursors for TiO2. Comprehensive characterization revealed the successful formation of g‐C₃N₄/TiO₂ type II heterojunctions, facilitating the efficient separation of photogenerated electrons‐holes. The photocatalytic hydrogen production performance of the composites, with the optimal CN/S‐TO (8.26 mmol/h/g) and CN/M‐TO (11.6 mmol/h/g) samples demonstrated hydrogen evolution rates of 2.7 and 3.5 times higher than pristine g‐C₃N₄, respectively. This enhancement is attributed to the intimate heterojunction formed between TiO₂ and g‐C₃N₄, which effectively promotes the transfer of photogenerated charges while suppressing the recombination of electrons and holes. Additionally, multilayer‐derived TiO2 retained a more stable structure post‐calcination, offering superior electron transport channels compared to its single‐layer counterpart. These findings underscore the potential of MXene‐derived heterojunctions based on different thicknesses as efficient photocatalysts for sustainable hydrogen production.
Diaminotriazinyl‐Substituted N‐Heterotriangulene: Hydrogen Bonding‐Driven Self‐Assembly in the Solid State, in the Gas Phase and on Surfaces
Authors: Borstelmann Jan , Míguez‐Lago Sandra , Gessner David , Ammon Maximilian , Hitzenberger Jakob F. , Hampel Frank , Drewello Thomas , Maier Sabine , Kivala Milan
Published: February 2025

We report the synthesis and comprehensive characterization of a dimethylmethylene‐bridged N‐heterotriangulene (N‐HTA) with diaminotriazinyl groups to guide the self‐assembly through directional hydrogen bonding. Mass spectrometry collision‐induced dissociation experiments indicated the formation of multiply charged clusters in the gas phase. Single crystal X‐ray diffraction studies revealed that the solid state packing is governed by an interplay between the hydrogen bonding and the solvent system used for crystallization. The self‐assembly on both semiconducting and insulating surfaces upon simple drop‐casting was disclosed by atomic force microscopy and scanning tunneling microscopy. The strong hydrogen bonding leads to robust self‐assembly on surfaces, which can be conveniently achieved by simple solution processing techniques under ambient conditions.
Green Synthesis of Copper Nanoparticles utilising the Maillard Reaction
Authors: Mielewczyk Lukas , Liebscher Virginia , Grothe Julia , Kaskel Stefan
Published: February 2025

A new approach for the fabrication copper nanoparticles by a wet chemical reduction method is reported. The natural resources arginine as amino compound and several monosaccharides (xylose, ribose, galactose and glucose) react characteristically performing an Amadori rearrangement followed by a Maillard type reaction. This reaction carried out in an aqueous solution ensures an environmentally friendly way of reducing copper(II) ions leading to the formation of the desired nanoparticles. By changing the concentration of the amino acid, simultaneously acting as a complexing agent, it is possible to tune the size of the resulting nano particles to a certain degree down to 3 nm. This nontoxic and facile preparation route with quantitative yield opens a wide field of applications ranging from electronics to medical approaches.
Model‐Based Prediction of Clinically Relevant Thrombocytopenia after Allogeneic Hematopoietic Stem Cell Transplantation
Authors: Götz Katharina M. , Turki Amin T. , Och Katharina , Selzer Dominik , Brossette Christian , Graf Norbert , Rauch Jochen , Theobald Stefan , Braun Yvonne , Rohm Kerstin , Weiler Gabriele , Rüdesheim Simeon , Schwab Matthias , Eisenberg Lisa , Pfeifer Nico , Kiefer Stephan , Schwarz Ulf , Riede Claudia , Smola Sigrun , Beelen Dietrich W. , Kaddu‐Mulindwa Dominic , Rissland Jürgen , Bittenbring Jörg , Lehr Thorsten
Published: February 2025

Platelet reconstitution after allogeneic hematopoietic cell transplantation (allo‐HCT) is heterogeneous and influenced by various patient‐ and transplantation‐related factors, associated with poor prognoses for poor graft function (PGF) and isolated thrombocytopenia. Tailored interventions could improve the outcome of patients with PGF and post‐HCT thrombocytopenia. To provide individual predictions of 180‐day platelet counts from early phase data, we developed a model of long‐term platelet reconstitution after allo‐HCT. A large cohort (n = 1949) of adult patients undergoing their first allo‐HCT was included. Real‐world data from 1,048 retrospective patients were used for non‐linear mixed‐effects model development. Bayesian forecasting was used to predict platelet–time profiles for 518 retrospective and 383 prospective patients during internal and external model validation, respectively. Thrombocytopenia was defined as mean platelet count < 75 × 109/L, derived from the last 12 platelet measurements within the first 180 days post‐HCT. Thrombocytopenia affected 37% of all patients and was associated with significantly reduced overall survival (P‐value < 0.0001). On days +7, +14, +21, and +28, the developed model achieved areas under the receiver‐operating characteristic of ≥ 0.68, ≥ 0.75, ≥ 0.78, and 0.81 for the prediction of post‐HCT thrombocytopenia, respectively, with anti‐thymocyte globulin, donor relation, and total protein measurements representing prognostic markers for post‐HCT platelet kinetics. A publicly accessible web‐based demonstrator of the model was established (https://hsct.precisiondosing.de). In summary, the developed model predicts individual platelet counts from day +28 post‐HCT adequately, utilizing internal and external datasets. The web‐based demonstrator provides a basis to implement model‐based predictions in clinical practice and to confirm these findings in future clinical studies.
Identification of Three Novel Tetrahydrocannabinol Analogs in the European Market
Authors: Dadiotis Evangelos , Mpakaoukas Sotiris , Mitsis Vangelis , Melliou Eleni , Magiatis Prokopios
Published: February 2025

Synthetic cannabinoids, known as Spice or K2, emerged in Europe and the United States between 2005 and 2008, peaking in incidents by 2015 with severe health implications. In 2021, the identification of hexahydrocannabinol (HHC), a semisynthetic cannabinoid (SSC), led to regulatory control in more than 20 countries in Europe, several US states, and other jurisdictions. A 2024 study in the United States highlighted the diversity of semisynthetic cannabinoids in the US market. New entries of SSCs are increasingly available in the European market, often found as blends in consumer products. This highlights the growing complexity of their regulation and the potential public health risks due to limited toxicological data. The major ingredients, isolated from “CB9”, “tresconol”, and “CBx”, were subjected to mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. The major isolated ingredient of “CB9” was identified as [2‐(E)‐propen‐1‐yl]‐Δ8‐tetrahydrocannabinol‐acetate. The major ingredient of “tresconol” was identified as [2‐propen‐2‐yl]‐Δ9‐tetrahydrocannabinol, and the major ingredient of “CBx” was identified as [2‐propen‐2‐yl]‐Δ8‐tetrahydrocannabinol. These compounds have no available spectroscopic or chromatographic data, have never been identified in Cannabis plants, and cannot be identified by standard chromatographic forensic analytical methods, without the use of spectroscopic techniques due to the lack of reference standards. The products were complex mixtures of previously unknown synthetic cannabinoids lacking established safety profiles. These findings highlight the potential public health risks associated with unregulated SSCs, similar to the concerns raised during the 2015 Spice outbreak. The presence of these novel substances requires careful monitoring to prevent future health crises.
Seed and Color Preferences of Wild Carrion Crows From Cafeteria Experiments
Authors: Chantoufi Amal , Canário Amanda Marques , Baud Tilwenn , Vallé Clément , Baux Alice , Jiguet Frédéric
Published: February 2025

Birds can cause significant damage to agricultural fields, notably in Europe, where corvid species like carrion crows (Corvus corone) and rooks (Corvus frugilegus) target spring crops, posing challenges for conservation and wildlife management. Among targeted crops, sunflower and maize suffer the highest levels of damage from corvids' foraging. While both lethal and non‐lethal strategies are employed to mitigate bird damage, their effectiveness is limited and context‐dependent. Consequently, there is growing interest in identifying natural bird repellents. To improve our understanding of corvid food selection and explore potential non‐lethal management strategies, we conducted (1) cafeteria trials with five common seed types (maize, sunflower, soy, pea, and wheat) and (2) two‐choice color tests with maize seeds in four colors (blue, green, orange, and red) on an urban population of carrion crows accustomed to human presence. Results indicated a marked preference for sunflower and wheat, while soy and pea were largely avoided, and maize was moderately consumed. The crows also demonstrated a preference for green‐colored maize over blue, orange, red, and natural maize seeds. These findings suggest that strategic planting of preferred crops like wheat alongside sunflower or maize may help mitigate damage. Further, incorporating colors into repellent seed coatings could reinforce the aversive learning process in birds, although color may play a less significant role in food selection when seeds are sown.
Soil legacies of genotypic diversity enhance population resistance to water stress
Authors: Liu Zekang , Cheng Cai , Zhang Qun , Tian Xing , Jiang Lin , Crawford Kerri M. , Liu Xiang , Liu Jianquan , He Qiang , Li Bo , Wu Jihua
Published: February 2025

While the positive relationship between plant diversity and ecosystem functioning is frequently observed and often attributed to direct plant–plant interactions, it remains unclear whether and how the effects of plant diversity endure through soil legacy effects, particularly at the level of genotypic diversity. We manipulated the genotypic diversity of Scirpus mariqueter and tested its soil legacy effects on a conspecific phytometer under low‐ and high‐water availability conditions. We found that genotypic diversity enhanced phytometer productivity through soil legacies, with stronger effects under low‐water availability conditions, improving its resistance to water stress. Moreover, this effect was attributed to the association between asexual and sexual reproductive strategies by increasing ramet number to ensure plant survival under low‐water availability and promoting sexual reproduction to escape stress. The observed diversity effects were primarily associated with increased levels of microbial biomass in soils trained by populations with diverse genotypes. Our findings highlight the importance of plant genotypic diversity in modulating ecosystem functioning through soil legacies and call for management measures that promote genetic diversity to make ecosystems sustainable in the face of climate change.
From Micro to Macro: A Comprehensive Study of Lean Manufacturing Tools in Tanzanian Industries
Authors: Sinkamba Francis D. , Matindana Juma M. , Mgwatu Mussa I.
Published: February 2025

The study aimed to establish the adoption status of tools and practices, drivers, and barriers for Lean Manufacturing (LM) for the Tanzanian context based on the industry size. The study adopted a survey research design. A purposeful sampling technique was deployed to collect responses from micro, small, medium, and large manufacturing industries. A total of 256 responses were received. Upon data cleaning, a total of 243 responses remained for further analysis. SPSS version 27 was used to analyze descriptive statistics such as mean and inferential statistics such as ANOVA. The results indicate the growing adoption of Lean Manufacturing across industries, from micro to large industries. The adoption of Lean Manufacturing for large industries is 75.1%, for medium industries is 66.7%, for small industries is 54%, and 50% for micro industries. The average adoption for all industries is 61.5%. The specific Lean practices vary by industry size; common practices include 5 s, visual management, and concurrent engineering with larger industries using more complex lean practices like cellular manufacturing. Moreover, the study indicates that drivers and barriers for Lean Manufacturing vary based on the size of the manufacturing industry. The study will guide those who wish to implement Lean Manufacturing in Tanzania and other countries with similar characteristics and challenges.
Ion‐Exchange Synthesis of Low‐Water Prussian Blue Analogs for Enhanced Sodium Storage
Authors: Li Jie , Liu Limin , Gao Yuting , Zhou Xiaoliang , Fang Ming , Guo Jinze , Zhou Xiaochong , Zhang Bo , Jia Chunjiang , Xu Ben Bin , Jiang Yinzhu
Published: February 2025

Iron hexacyanoferrate (FeHCF) is a promising cathode material for sodium‐ion batteries (SIBs) due to its high theoretical capacity and low cost. Nevertheless, water in FeHCF is likely to take up Na+ sites leading to the reductions in capacity and rate capability. Herein, an ion‐exchange method is proposed to synthesize low‐water potassium‐sodium mixed iron hexacyanoferrate (KNaFeHCF). The ion‐exchange method can preserve the lattice structure with low vacancies and K+ with larger ionic radii can reduce the water content in FeHCF and improve Na+ reaction kinetics. Compared with the NaFeHCF synthesized by co‐precipitation method, the water content of optimal sample KNaFeHCF‐12 h can be decreased by 21.2%. The sample exhibits excellent electrochemical performance, with a discharge capacity of 130.33 at 0.1 and 99.49 mAh g−1 at 30 C. With a full‐cell configuration with a hard carbon anode, the discharge capacity reaches 115.3 mAh g−1 at 0.1 C. This study demonstrates a viable method for producing Prussian blue cathode materials with low water content, high specific capacity, and exceptional cycling stability.

image
Analysis of Burning Rate Variation of Tungsten Delay Composition Close to Zero Oxygen Balance
Authors: Lu Yuan‐Gen , Hao Bo , Chen Geng , Xu Cai‐Xian , Zhang Li
Published: February 2025

Tungsten delay compositions are widely utilized in ammunition, small detonators, and other devices. In this study, we first explored the changes in the burning rate of micron‐sized tungsten delay compositions (W/BaCrO4/KClO4) when achieving zero oxygen balance under different material tube walls. Subsequently, SiO2, CuO, BN, and shellac were added to the tungsten delay composition to investigate the burning rate variations of different samples in aluminum tubes. The experimental results reveal that the combustion rate of the tungsten delay composition decreases with an increase in the thermal conductivity of the tube wall. The content of BN exhibits a linear relationship with the combustion rate of the tungsten delay composition, the combustion rate of the tungsten delay composition decreases with the increase of the mass percentage of BN. A small amount of SiO2, CuO, and shellac accelerates the combustion rate of the tungsten delay composition, but the combustion rate decreases as the content of these additives increases. The conclusion of this study can provide a wider range of delay times for delay devices with significant spatial limitations.
Release Characteristics of Fenugreek Polysaccharide‐Lemon Essential Oil Inclusion Compound and Its Application in Cigarette Flavouring
Authors: Wang Haiyang , Jiang Lin , Qiu Jianhua , Yan Dingwei , Liang KeWei , Yang Xiaopeng , Lai Miao , Chen Zhifei , Chang Dong , Ji Xiaoming
Published: February 2025

Embedding is an effective method to overcome the poor thermal stability and release properties of lemon essential oil (LEO). This research focused on the fabrication of inclusion complexes through co‐precipitation and response surface optimization, employing Fenugreek polysaccharide (FP15) as the wall material. The complexes were assessed through thermal analysis and in vitro slow‐release investigations. XRD, FTIR and SEM analysis proved that LEO formed supramolecular structure with FP15 through hydrogen bonding and van der Waals force, and was successfully embedded with packaging efficiency of 57.33%. Thermal behaviour analysis showed that FP15 as a wall material significantly improved the thermal stability of LEO. The analysis based on the KAS and Coats‐Redfern methods showed that the apparent activation energy of inclusion compounds increased with the increase of conversion rate, and the secondary reaction model (F2) could better describe the pyrolysis reaction mechanism of inclusion compounds. In vitro release experiments showed that the release of LEO from the inclusion at 37°C (human body temperature) and 65°C (food processing temperature) followed a first‐order kinetic model, with LEO being released from the carrier by non‐Fickian diffusion. The analysis of pyrolysis products showed that the inclusion compound pyrolyzed at 300°C, 600°C and 900°C to produce a large number of aldehydes, esters and non‐/semi‐volatile organic acids. The production of these flavour substances improves the quality, concentration of aroma, rich‐ness and harmony of the cigarette during smoking. In summary, FP15 as a wall material slowed down the release of LEO, enhanced its stability and improved the sensory quality of cigarettes.
Individual and Organizational Resilience: Relationships, Antecedents, and Consequences
Authors: de Medeiros Claudia Cristina Alvares Beltrão , Saurin Tarcisio Abreu
Published: February 2025

Resilience in socio‐technical systems has a myriad of manifestations and outcomes that are often not made explicit in the literature. This drawback might be a source of misunderstandings and hinder the design of work systems supportive of desirable resilient performance. Two crucially distinctive manifestations refer to individual and organizational resilience. This study presents a model of how these two types relate to each other and how they relate to antecedents and consequences of resilience. To this end, we carried out a case study of freight road transport, emphasizing the truck drivers' perspectives. Data collection included 14 interviews with drivers and managers of logistics operations, in addition to non‐participant observations of drivers' workplaces. Based on a thematic analysis, the model was developed consisting of seven themes: work constraints, investments, individual resilience practices, organizational resilience practices, operational efficiency, human costs, and overall costs. The first two themes are antecedents and the last three are consequences of resilience. The main relationships between the themes are presented as seven propositions for theory‐testing. The model suggests three main approaches for a balanced distribution between individual and organizational resilience. These approaches consist of: tackling work constraints, especially production pressures; investing in organizational practices adopting a long‐term view; and promoting individual practices that proactively support health and safety. The truck drivers' study offers examples of the applicability of these approaches.