bluuebunny/crossref_metadata_2025_split huggingface dataset:
Programmable DNA‐Based Nanodevices for Next‐Generation Clinical and Healthcare Applications
Authors: Kansara Krupa , Laha Anwesha , Kumar Ashutosh , Bhatia Dhiraj 
Published: February 2025

AbstractDeoxyribonucleic acid (DNA) nanotechnology has brought an unparalleled set of possibilities for self‐assembled structures emerging as an independent branch of synthetic biology. The field of science uses the molecular properties of DNA to build nanoparticles and nanodevices that have the potential to bring breakthroughs in medical science. On the one hand, their biocompatibility, precision, synthetic ease, and programmability make them an ideal choice in drug delivery and healthcare. On the other, the lack of proper biodistribution profiles, stability inside the system, enzymatic cleavage, immune recognition, and translational barriers are some of the hurdles it faces. Many recent technological advancements are in progress to tackle these challenges, while some already have been used. These tools and technologies need to be understood and studied for the successful transition of these intelligent DNA nanostructures (DNs) to healthcare applications. This review thus, highlights some of the challenges being faced by the DNs in healthcare. Additionally, it provides an overview of the recent trends in using these devices in disease detection and remission and finally talks about the future scope and opportunities for an effective transition from bench to bedside.
Periodic Phase‐Separation During Meniscus‐Guided Deposition
Authors: de Bruijn René , Darhuber Anton A. , Michels Jasper J. , van der Schoot Paul 
Published: February 2025

AbstractThe 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

AbstractA 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

AbstractThis 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

AbstractPoly(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

AbstractMechanochemische 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

AbstractIn 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

AbstractNumerous 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

AbstractThe 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

ABSTRACTThere 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

ABSTRACTA 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

ABSTRACTA 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

ABSTRACTDisposal 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

AbstractHerein, 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.
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

ABSTRACTDetergents 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.