bluuebunny/crossref_metadata_2025 huggingface dataset:
Hardware‐Software Codesign of 2D Neuromorphic Optoelectronic Device for Dynamic Gesture Recognition
Authors: Wang Jiarui , Lin Yinan , You Junqi , Yu Tianze , Meng Weifan , Sun Linfeng
Published: February 2025

In‐sensor reservoir computing has recently gained considerable attention for its efficient training process and advanced integration of sensing, storage, and processing functionalities. However, developing a highly efficient in‐sensor reservoir computing system remains challenging, mainly due to the lack of suitable devices with appropriate architectures. In this study, a graphene/MoSe2‐based ohmic contact optoelectronic synaptic memory device optimized for in‐sensor reservoir computing (RC) is introduced, designed to emulate biological synaptic functions and enable efficient neuromorphic computing. Based on the dynamic characteristics and fading memory of this device, a reservoir computing system for dynamic gesture recognition, including six types of gestures, is stimulated, achieving a recognition rate of 95%. This work provides a potential solution for hardware‐software co‐design in dynamic gesture recognition.
EDOT‐Pyridine Based Dye as Metal‐Free Photoredox Catalyst for Diverse Organic Transformations
Authors: Ge Jingjing , Kong Lexuan , Chu Jiaxin , Chen Zhengtao , Ren Yunlai , An Wan-Kai
Published: February 2025

The development of efficient organic photocatalysts is highly important. By utilizing the structural characteristics of 3,4‐Diethylenedioxythiophene (EDOT), we have designed a series of EDOT‐embedded organic dyes with donor‐acceptor structures. Our results demonstrate that EDOT‐2Py, with pyridine as a side arm, exhibits exceptional photocatalytic properties and facilitates four distinct organic transformations. Consequently, the synthesis of SCN‐functionalized chromones/indoles/multi‐substituted olefins, the photooxidation of arylboronic acid, and oxidative coupling of benzylamine were effectively achieved. The EDOT‐2Py mediated photoredox system offers a mild, concise, and highly efficient approach for the synthesis of C‐S bonds in significant molecular scaffolds. Preliminary mechanistic investigations confirm that the transformation for SCN‐functionalized chromones may involve energy transfer process. The present study also unveils novel prospects for the design and development of photocatalysts employing light‐responsive dyes derived from EDOT.
Asymmetric Synthesis of γ‐Lactones Bearing α,γ‐Bis‐quaternary Stereocenters via Chiral Bifunctional Sulfide‐Catalyzed Desymmetrizing Bromolactonization
Authors: Furuya Yasuaki , Nishiyori Ryuichi , Okuno Ken , Mori Taiki , Sumida Sao , Yamakawa Mina , Shirakawa Seiji
Published: February 2025

The structure of highly substituted chiral γ‐lactones is found in many important natural products. Therefore, the development of methods for the catalytic asymmetric synthesis of highly substituted γ‐lactones is recognized as an important area of research. Catalytic asymmetric halolactonizations are known to be reliable methods for the stereoselective preparation of optically active γ‐lactones. However, catalytic asymmetric halolactonizations for the synthesis of highly substituted γ‐lactones, such as α,γ‐bis‐quaternary γ‐lactones with four different carbon substituents on the lactone backbone, remain underdeveloped. To address this limitation, we report here the diastereo‐ and enantioselective synthesis of α,γ‐bis‐quaternary γ‐lactones possessing four carbon substituents at the α‐ and γ‐positions, achieved through chiral bifunctional sulfide‐catalyzed desymmetrizing bromolactonization.
Solvent‐Dependent Chirality Transmission and Amplification from Cellulose Derivative to Achiral Helical Polymer for Achieving Full‐Color and White Circularly Polarized Luminescence
Authors: Zhong Hai , Zhao Biao , Deng Jianping
Published: February 2025

Cellulose derivatives represent a promising natural chiral platform for creating circularly polarized luminescence (CPL) materials owing to their excellent processability and structural diversity. However, achieving full‐color and white CPL emissions based on cellulose derivatives remains challenging. The present work reports the first success in achieving full‐color and white CPL emissions leveraging chirality transmission and amplification from cellulose derivative to achiral helical polymer. Importantly, such chirality transfer displays a dependence on the hydrogen bond accepting ability of solvent, making it effortless to precisely regulate chiral intensity by single or combined solvents. Moreover, the induced chirality in helical polymer is further transferred to the introduced racemic fluorescent dyes, resulting in full‐color and white‐light CPL emissions with a maximum luminescence dissymmetry factor (glum) and photoluminescence quantum yield (PLQY) up to 1.5×10−2 and 62.9%, respectively. Further spatially separating the chiral and fluorescent components allows inversion of CPL handedness and precise modulation of CPL intensity. Notably, circularly polarized white organic light‐emitting diodes and chiral logic gate with multiple information outputs are successfully developed. This work gives an impetus to construct cellulosic chiroptical materials, offering more insights into chirality transfer between biomacromolecules and synthetic helical polymers.
Renewable Terephthalates and Aromatic Diisocyanates from Galactose
Authors: Halloran Matthew W. , Naumann Roxanne , Jaisingh Aanchal , Romero Nathan A. , Burkart Michael D.
Published: February 2025

Aromatic diisocyanates, invaluable commodity chemicals for polymer manufacturing, are produced annually on megaton scales from petroleum‐derived diamines via phosgenation. Existing routes toward renewable alternatives are sparse and limited by access to functionalized aromatic starting materials, such as terephthalates. Herein, we report the development of a robust route to renewable terephthalates and aromatic diisocyanates from D‐galactose via Eastwood olefination and Diels‐Alder cycloaddition, followed by a mild electrochemical decarboxylative aromatization. This process was developed and applied on gram‐scale to synthesize terephthalates, which were transformed into aromatic diisocyanates via Curtius rearrangement in flow. We demonstrate gram‐scale preparation of 1,4‐phenylene diisocyanate and 2,5‐toluene diisocyanate and formulation of these monomers to prepare fully renewable thermoplastic polyurethanes. Preparation of these renewable aromatic diisocyanates proceeds without the use of high‐pressure gases or costly transition‐metals and represents a novel route to fully renewable aromatic diisocyanates.
Dominant Face‐On Oriented Perylene‐Diimide Interlayers for High‐Performance Organic Solar Cells
Authors: Chen Zhihui , Li Qi , Tang Huijun , Wen Junjie , Zhong Yanyi , Zhang Jiangbin , Han Kai , Liu Yao
Published: February 2025

Electron transport properties of cathode interlayers are crucial to high‐performance organic solar cells (OSCs). We propose a novel approach to enhance electron transport of cathode interlayers through controlling a preferential face‐on molecular orientation of non‐ionic perylene‐diimide‐ (PDI) based cathode interlayers with restricted n‐doping effects. 1‐(2,5,8‐trioxadec‐10‐yl)‐1,2,3‐triazole (TOT) units as bulky and extended side chains were incorporated into brominated‐PDIs via click chemistry to yield PDIBr‐TOT. TOT side chains impart PDI‐based interlayers with a dominant face‐on orientation, meanwhile leading to a negligible doping effect due to their weak electron‐donating properties. Impressively, at a slight doping level, higher electron mobility is gained through efficient vertical charge transport channels built by preferred face‐on molecular orientations of PDIBr‐TOT, beating the results acquired through strong doping effects of traditional PDIBr‐N with an edge‐on orientation. Thus, PDIBr‐TOT can suppress exciton recombination and lower the surface energies for good contact with active layers, consequently leading to increases in fill factor and short‐circuit current. Integrating PDIBr‐TOT with various active layers, a remarkable efficiency of 19.52% is obtained. Moreover, device stability is enhanced by restrained doping effects. Modulating face‐on orientations of cathode interlayers prescribed here will encourage further innovative designs of high‐performance cathode interlayers towards OSC advances.
Pathway Engineering in Pd‐Based Supramolecular Cage Synthesis via Inner‐Outer Steric Synergy
Authors: Guo Ziteng , Yu Hao , Shi Junjuan , Han Ningxu , Wu Guanglu , Zhang Houyu , Li Bingling , Wang Ming
Published: February 2025

For artificial supramolecular architectures designed to mimic biological systems, achieving different pathway synthesis is challenging due to the requirement of multiple stable and interconvertible intermediates. Here, we propose a novel “inner‐outer steric synergy” strategy and investigate controllable pathway engineering for the synthesis of specific structures. Firstly, three structures (Ring‐Pd2LA2, Bowl‐Pd2LA3 or Cage‐Pd2LA4) with interconversion properties were selectively formed by assembling externally modified ligand LA with Pd(II). Furthermore, Ring‐Pd2LA2 can further assemble with the ligand LB with inner steric hindrance to generate heteroleptic trans‐Pd2LA2LB2 cage, while Bowl‐Pd2LA3, as an intermediate, can assemble with LB to form Pd2LA3LB. It is noteworthy that Ring‐Pd2LA2, Bowl‐Pd2LA3, and Cage‐Pd2LA4 can interconvert under specific conditions, enabling the synthesis of Pd2LA3LB and trans‐Pd2LA2LB2 through 10 and 16 pathways, respectively. This research not only introduces a novel strategy for constructing heteroleptic cages but also demonstrates the achievement of pathway engineering.
Terpyridine‐ and Quarterpyridine‐Based Cationic Covalent Organic Frameworks for Visible‐Light‐Catalytic H2O2 Synthesis
Authors: Zhang Jun , Xue Fei , Wang Zhonggang
Published: February 2025

This paper presents multipyridine‐containing covalent organic frameworks (COFs) with precisely defined position and number of pyridinium cationic groups. Specifically, three terpyridine‐ and quarterpyridine‐based trialdehydes were synthesized, and utilized as the starting monomers to polymerize with trimethylpyridinium bromide to yield vinylene‐linked iTPy‐COF, iTPPy‐COF and iQPPy‐COF, respectively. Thus constructed donor‐acceptor cationic COFs exhibit considerably high light‐visible catalytic efficiency for hydrogen peroxide (H2O2) synthesis by the dual‐channel mechanisms of oxygen reduction reaction (ORR) and water oxidation reaction (WOR). In pure water and O2 atmosphere, the H2O2 production rate (HPR) of iTPPy‐COF after 1 h reaction is as high as 7955 μmol g‐1 h‐1. Even though in air, its HPR value still reaches 6249 μmol g‐1 h‐1. Moreover, it is found that changing the arm lengths and ratios of pyridine to benzene ring in the frameworks significantly affects the photocatalytic capability. The structure‐property relationship is investigated in terms of the variations of electronic structures through the theoretical simulations and measurements of photophysical parameters such as fluorescence lifetimes, photocurrent intensities, and impedances of charge transfer, which presents new insights into the engineering of multipyridine‐based cationic COFs for highly efficient H2O2 photosynthesis.
Chemical proteomics reveal human off‐targets of fluoroquinolone induced mitochondrial toxicity
Authors: Reinhardt Till , El Harraoui Yassmine , Rothemann Alex , Jauch Adrian T. , Müller-Deubert Sigrid , Köllen Martin F. , Risch Timo , Jacobs Lianne H.C. , Müller Rolf , Traube Franziska R. , Docheva Denitsa , Zahler Stefan , Riemer Jan , Bach Nina C. , Sieber Stephan Axel
Published: February 2025

Fluoroquinolones (FQs) are an important class of potent broad‐spectrum antibiotics. However, their general use is more and more limited by adverse side effects. While general mechanisms for the fluoroquinolone‐associated disability (FQAD) have been identified, the underlying molecular targets of toxicity remain elusive. In this study, focusing on the most commonly prescribed FQs Ciprofloxacin and Levofloxacin, whole proteome analyses revealed prominent mitochondrial dysfunction in human cells, specifically of the complexes I and IV of the electron transport chain (ETC). Furthermore, global untargeted chemo‐proteomic methodologies such as photo‐affinity profiling with FQ‐derived probes, as well as derivatization‐free thermal proteome profiling, were applied to elucidate human protein off‐targets of FQs in living cells. Accordingly, the interactions of FQs with mitochondrial AIFM1 and IDH2 have been identified and biochemically validated for their contribution to mitochondrial dysfunction. Of note, the FQ induced ETC dysfunction via AIFM1 activates the reverse carboxylation pathway of IDH2 for rescue, however, its simultaneous inhibition further enhances mitochondrial toxicity. This off‐target discovery study provides unique insights into FQ toxicity enabling the utilization of identified molecular principles for the design of a safer FQ generation.
Photoredox Autocatalysis: Towards a Library of Generally Applicable Reductive Photocatalysts
Authors: Kaur Jaspreet , Mandigma Mark John P. , Bapat Nakul Abhay , Barham Joshua Philip
Published: February 2025

Dichotomous thinking dominates the field of synthetic photochemistry – either a reaction needs a photocatalyst or not. Herein, we report the identification of a photoredox autocatalytic pathway, an alternative to the existing mechanistic paradigms, to access cyclic biaryl sulfonamides (BASNs). This reaction does not require exogenous catalyst as the visible light absorbing deprotonated product itself, with potent excited state reductive power, acts as the photocatalyst for its own synthesis. This finding implicated BASN as a novel organophotocatalyst architecture and allowed a rapid, modular, and low‐cost combinatorial synthesis of a BASN library that expedited optimal photocatalyst screening. Furthermore, BASN was revealed as a widely applicable organophotocatalyst for diverse transition metal‐free transformations such as: intramolecular (spiro)‐cyclizations, defunctionalizations, and C‐C / C‐heteroatom couplings.
Direct Observation of Electron Donation onto the Reactants and a Transient Poisoning Mechanism During CO2 Electroreduction on Ni Single Atom Catalysts
Authors: Leverett Josh , Baghestani Ghazal , Tran-Phu Thanh , Yuwono Jodie A. , Kumar Priyank , Johannessen Bernt , Simondson Darcy , Wen Haotien , Chang Shery L. Y. , Tricoli Antonio , Simonov Alexandr N. , Dai Liming , Amal Rose , Daiyan Rahman , Hocking Rosalie K.
Published: February 2025

SACs are an important class of materials that mediate chemical reduction reactions, a key subset of which is Ni within a carbon support for the electrochemical CO2 reduction reaction (CO2RR). However, how the metal atom/clusters and carbon‐based support act in concert to catalyze CO2RR is not well understood, with most reports attributing activity solely to the Ni‐Nx/C moieties. To address this gap, we have undertaken a mechanistic investigation, employing in situ X‐ray absorption spectroscopy (XAS) coupled with electrochemical studies and DFT calculations to further understand how Ni single atoms work in conjunction with the nitrogen‐doped carbon matrix to promote CO2RR to CO, and how the presence of impurities such as those present in CO2‐containing waste flue gases (including NOx, and CN‐) changes the catalyst upon reduction. In contrast to previous works, we do not find strong evidence for a purely metal‐based reduction upon application of negative reductive potentials. Instead, we present evidence for an increase in the equatorial vs. axial splitting of Ni, consistent with electrons moving onto the reactants via the Ni single atom 3dz2 orbital. In addition, we demonstrate a transient poisoning mechanism of the Ni SAC by nitrite and thiocyanate, explaining the recovery of activity during CO2RR.
Reductant‐Free Enantioselective Aza‐Reformatsky Reaction Enabled by Synergistic Visible Light Photocatalysis and Lewis Acid Catalysis
Authors: Jiang Mingyi , Yu Zengcheng , Yang Linhan , Wang Fei , Cao Weidi , Liu Xiaohua , Feng Xiaoming
Published: February 2025

Classical aza‐Reformatsky reaction generally involves excess reductants. Herein, we developed a visible light‐induced catalytic asymmetric aza‐Reformatsky reaction via a chiral Lewis acid‐assisted direct excitation of imines without additional reductants, enabling the carbon–iodine bond cleavage of iododifluoromethyl ketones and the subsequent enantioselective radical coupling. This protocol provided an ingenious access to chiral β‐amino ketones containing a gem‐difluorine moiety. The mechanistic studies including radical trapping experiment, electron paramagnetic resonance experiment, cyclic voltammetry experiment and spectroscopic analysis rationalized the reaction process.
Cu(II), Ni(II), and Co(II) Complexes of a Novel Quinolinyl Hydrazone Ligand: Synthesis, Characterization, DFT, Antitumor, and Molecular Docking Studies
Authors: Seleem H. S. , El‐Inany G. A. , El‐Shetary B. A. , El‐Shafiy H. F. , Hanafy F. I. , Nabeel Asmaa I. , Madyan A. , Shebl Magdy
Published: February 2025

A novel quinolinyl hydrazone ligand (NaphHQino) has been synthesized by condensation of 2‐hydrazinyl‐4,7‐dimethylquinoline with 2‐hydroxy‐1‐naphthaldehyde. Reactions of NaphHQino with copper(II), nickel(II), and cobalt(II)‐chlorides yielded a series of novel complexes. Structures of the NaphHQino ligand, Cu‐NaphHQino, Ni‐NaphHQino, and Co‐NaphHQino complexes have been inspected with the help of elemental and thermal analyses, magnetic susceptibility and molar conductivity measurements, infrared, electron spin resonance (ESR), proton nuclear magnetic resonance (1H NMR), mass, and electronic spectra. The studied NaphHQino ligand acts either as a neutral NN‐donor or as a dibasic tridentate NNO‐donor, forming square‐planar complexes. Molar conductivity measurements demonstrate a neutral character of the NaphHQino complexes. The ESR spectrum of the Cu‐NaphHQino complex confirmed the proposed square‐planar geometry with values of α2 and β2, demonstrating that the in‐plane π‐bonding character is less prominent than the covalent in‐plane σ‐bonding character. Implementing density functional theory at the B3LYP/6‐311G(d,p) and LanL2dz levels, the molecular fundamental properties of NaphHQino and NaphHQino‐complexes were assessed. NaphHQino ligand exhibited antineoplastic activity towards Ehrlich ascites carcinoma, and metal‐NaphHQino complexes showed higher activity than NaphHQino. Molecular docking simulations were carried out, which supported the obtained results for antineoplastic activity.
New Methods for the Synthesis of Highly Fluorescently Substituted Heterocyclic Boranils: Structural Identification and Photophysical Properties
Authors: Agren Soumaya , El Haskouri Jamal , Beyou Emmanuel , Baouab Mohamed Hassen V.
Published: February 2025

We report the synthesis, structural, thermal, and photophysical properties of six boranils ((A‐F)‐BF2). Compounds (A‐C)‐BF2 were synthesized at low temperature, while nitro and pyridine derivatives were obtained at 80°C with yields up to 66%. Tert‐butyl and chloro‐substituted boranils showed thermal stability up to 300 °C. All boranils were fluorescent, with properties tuned by phenyl substitution and boron difluoride complexation. The lowest energetic gap (2.210 eV) was found in (D‐BF2), which exhibited a remarkable red‐shift in absorption and emission due to charge transfer between donor and acceptor groups. This work is part of ongoing studies on metal cation detection and photocatalysis.
Robust Superhydrophobic Flame‐Retardant Coating on Polyester Fabrics Based on Polyphosphazene Nanospheres
Authors: Zhou Cong , Sun Chang , Zhang Dan
Published: February 2025

Developing surface coatings with both superhydrophobic and flame‐retardant properties for polyester (PET) fabrics is crucial yet challenging. A novel, environmentally friendly coating based on polyphosphazene nanospheres (PNSs) was introduced to address this challenge. The PNSs were synthesized via polycondensation of hexachlorocyclotriphosphazene and branched polyethyleneimine, followed by surface modification with stearic acid to enhance hydrophobicity. The modified PNSs are applied to PET fabric through a facile dip‐coating process and co‐cured with a binder and silicone resin. The resultant fabric demonstrates superior superhydrophobicity (water contact angle > 150°) and significant flame retardancy, characterized by a reduced peak heat release rate and inhibited melt dripping. The coating exhibits robust mechanical stability, maintaining its performance after 120 abrasion cycles, 250 tape peel‐off cycles, and 10 washing cycles. Additionally, the treated fabric retains adequate air permeability at optimal coating concentrations. This approach enhances the functionality and safety of polyester textiles, with potential for industrial scale‐up due to its cost‐effectiveness and straightforward preparation process.
Organic Self‐Healing Single Crystals
Authors: Zhang Jia‐Hui , Tao Jun , Yao Zi‐Shuo
Published: February 2025

Self‐healing single crystals, which possess the ability to recover from damage, represent an emerging filed within dynamic single‐crystal materials. These materials not only deepen our understanding of the flexible structures inherent in single crystals but also offer a novel pathway for the development of smart materials, including soft robots, microelectronic devices, and optical devices. In this perspective, we provide a comprehensive summary of recent advancements in organic self‐healing single crystals, highlighting various self‐healing mechanisms, typical molecular structures, and the testing methods utilized to investigate these materials. We hope that our systematic overview of this field will significantly contribute to the advancement of self‐healing single crystal materials as a new class of molecular‐based functional materials, particularly in the integration of self‐healing properties with innovative optoelectronic functionalities.
Pedagogical Approach for Quantum Computing in Engineering Education
Authors: Orts Francisco
Published: February 2025

This paper presents a method for teaching quantum computing for engineering students of the Master's degree in Quantum Computing at the International University of La Rioja. The approach is designed so that students can acquire the basic concepts of quantum computing in a context in which they have no knowledge of quantum mechanics. The focus is therefore on the mathematical, physical and, above all, computational knowledge acquired by the student in engineering. Theoretical and practical concepts of quantum computation are introduced, as well as the most important quantum algorithms. The student is also taught to work with a real quantum device. The method was successfully tested using the IBM Quantum platform, which consists of real quantum devices and simulators where students were able to test the acquired knowledge and implement the learned algorithms. In a context where quantum computing‐related degrees and subjects are starting to emerge, the aim of this work is to help not only future generations of engineers to study quantum computing, but also those responsible people for implementing such studies.
Canvas of Calm: A Pilot Study on Art‐Based Interventions for Academic Stress Management in Higher Education
Authors: Surana Komal , Datta Paramita
Published: February 2025

Background

Art has long been recognised as a powerful medium for self‐expression, emotional healing and stress reduction. In the context of academic stress, creative art‐based interventions provide students with non‐verbal outlets to process emotions and build resilience.

Aim

This pilot study aimed to evaluate the effectiveness of two art‐based therapeutic techniques ‐ scribbling and gratitude mandala colouring ‐ in reducing academic stress among undergraduate students.

Method

A total of 51 undergraduate students (both male and female) from Salesian College, Siliguri, participated in this pre‐ and post‐intervention pilot study. The Academic Stress Scale, developed by Jain and Dikshit, was administered before and after the 4 week intervention. Participants engaged in weekly 1‐h sessions featuring intuitive scribbling, scribble swap, self‐gratitude and family gratitude mandala colouring, with weekly assignments. Feedback was collected after each session to capture participants' reflections.

Results

Results showed a significant reduction in academic stress levels post‐intervention (t = 3.44, p < 0.001), with a decrease in mean stress scores from 98.70 (SD = 8.96) to 90.35 (SD =13.75). Participants reported increased mindfulness, improved concentration, a sense of relaxation and strengthened relationships with family members.

Conclusion

The techniques enabled creative expression without fear of judgement, fostering self‐assurance and better coping mechanisms. This study highlights the potential of art‐based interventions addressing academic stress in higher education.
Anti‐neoplastic gallium‐based PROTAC for PDI degradation triggers autophagy and immunogenic cell death
Authors: Peng Xin-Xin , Tan Xiang-Yu , Zhang Hang , Gao Song , Zhang Jun-Long
Published: February 2025

Protein disulfide isomerase (PDI), a family of thiol‐disulfide oxidoreductases, is one of the most abundant soluble proteins in the endoplasmic reticulum (ER) and is responsible for protein folding. Increasing evidence suggests that PDI is overexpressed in multiple types of cancer, positioning it as a promising target for tumor therapy. We have designed and synthesized a series of gallium complex‐based proteolysis targeting chimeras (PROTACs), which exhibited effective targeting and degradation of PDI in vitro. After analyzing the relationship between structure and function, we have identified M‐2 as the compound that most efficiently degrades PDI. Our research shows that M‐2‐induced degradation of PDI can trigger the unfolded protein response, leading to cell autophagy and initiating immunogenic cell death (ICD), as demonstrated in mouse models. This study suggests a potential opportunity for combining PDI targeting and immunotherapy.
Overcoming Uncrossable Calcified RCA Using Orbital Atherectomy After Failure of Rotational Atherectomy
Authors: Helal Ayman , Ehtisham Javed , Shaukat Naeem
Published: February 2025

Severe calcified lesions in the coronary arteries often pose significant challenges for successful percutaneous coronary interventions. In this case, a 78‐year‐old woman presented with severe calcific disease in the right coronary artery and underwent two sequential interventions. The initial procedure involved rotational atherectomy but failed to fully cross the lesion. The procedure was complicated by an ostial dissection that was treated by stent. Subsequently, orbital atherectomy was employed, successfully crossing the lesion through a newly deployed ostial stent. Additionally, upfront intracoronary adenosine was administered to prevent no‐reflow, achieving optimal procedural outcomes. This case highlights the utility of orbital atherectomy as a rescue technique after failed rotational atherectomy and the effectiveness of proactive pharmacological intervention for no‐reflow prevention. To our knowledge there were no case reports addressing successful orbital atherectomy following failed rotational atherectomy.
Multidisciplinary Treatment With Adjunctive Orthodontics, Surgical Crown Lengthening, and Esthetic Rehabilitation
Authors: Viet Hoang , Thao Dang Thi Nhu , Phuoc Tran Hong , Hung Do The , Marya Anand
Published: February 2025

Anterior spacing caused by missing upper lateral incisors and edge‐to‐edge position in the front teeth can negatively affect the appearance of a person's smile, leading to mental and social distress. A 29‐year‐old woman approached with the issue of edge‐to‐edge anterior occlusion, upper and lower spacing, missing lateral teeth, and improper occlusion. The treatment plan involved an interdisciplinary approach with orthodontics, implants, periodontics, and prosthodontics. After orthodontic treatment, third molar extraction and two buccal shelf mini screws were recommended to distalize the lower posterior teeth and retract the lower incisors using a power chain. Gingivoplasty and veneer restorations were performed on teeth 14–24 to improve the patient's smile aesthetics. The interdisciplinary approach used in this case involved fixed orthodontics, periodontal surgery, and prosthodontics to manage and improve the patient's smile and facial appearance.
Origin of the High Performance of GaZrOx/SAPO‐34 Bfunctional OXZEO Catalyst for the Methanol‐Mediated CO Hydrogenation to Light Olefins
Authors: Salichon Antoine , Checa Ruben , Afanasiev Pavel , Loridant Stéphane
Published: February 2025

Gallium‐based catalysts have recently gained strong interest for (de)hydrogenation reactions. In this work, we evaluated GaZr mixed oxides associated with SAPO‐34 for the methanol‐mediated syngas conversion to light olefins and confirmed high performance of the mixture. A fundamental approach based on H2‐TPD and in situ DRIFTS techniques was followed to decipher the origin of its high performance and provide insights on the still‐debated redox mechanism of CO hydrogenation to methanol. A pronounced lability and easy regeneration of OH groups on GaZr oxides were shown to facilitate CO conversion to HCOO* intermediate. Concomitantly, surface reduction under hydrogen leads to formation of oxygen vacancies favouring H2 dissociation and formation of highly reactive Ga‐H hydrides which further readily hydrogenate HCOO* intermediate to CH3O*. The particular property of GaZr oxides making them an optimal component for OXZEO process is its low activity for olefins hydrogenation combined with high ability to generate methanol intermediate.
Radical Cation of Tris(triarylamine) Connected through 1,2,3‐Benzenetriyl Bridge: A Three‐Redox‐Center Organic Mixed‐Valence System
Authors: Ito Akihiro , Seki Shu , Uebe Masashi , Yoshida Koshi
Published: February 2025

To explore intramolecular charge‐transfer (ICT) pathways in three‐redox‐center organic mixed‐valence (MV) radical cation, a tris(triarylamine) (TTA), in which three triarylamine (TA) redox‐active centers are connected in a side‐by‐side fashion via 1,2,3‐benzenetriyl bridging unit, has been newly synthesized. The MV state of the TTA radical cation has been investigated by a combination of experimental and theoretical methods, and the ICT pathway between three redox‐active centers has been revealed. The intervalence CT (IVCT) band analysis gave an electronic coupling value comparable to the ortho‐phenylene‐bridged bis(triarylamine) radical cation. Dynamic electron spin resonance studies clarified that the TTA radical cation was a nondegenerate MV system exhibiting ICT between the central TA and the peripheral TAs through the ortho‐phenylene‐bridge.
An Improved NLC Rotation Strategy for MMC
Authors: Gobburi Hari Babu , Borghate Vijay B. , Patro S. K. , Meshram Prafullachandra M.
Published: February 2025

This article presents a balancing strategy for modular multilevel converter (MMC) that offers low dv/dt and improved performance. The proposed approach converts the inserted number of half‐step size upper and lower arm SMs into pulses and then rotates them among the respective arm switching devices for the voltage balancing of SM floating capacitors. Apart from keeping the device switching frequency at fundamental, the proposed method also eliminates the SM capacitor voltage and arm current sensing. In addition to above, the harmonic performance also gets improved without incorporating harmonic elimination method at low number of submodules. The voltage balance process is discussed mathematically, and its impact is studied in detail by open loop and closed loop simulations carried in MATLAB/SIMULINK software with 10 half‐bridge SMs (HBSM) per arm, which demonstrates the ability of proposed method to improve the arm voltage and current profile. For the revalidation of simulation results experimentally, a component level scaled down MMC prototype employing 4 HBSMs in each arm is developed and tested. The experimental outcomes are in agreement with the simulation results.
Advances in networking droplets
Authors: Chong Zhejun , Zeng Yi , Kang Youlong , Ding Ke , Du Xin , Gu Zhongze
Published: February 2025

Compartmentalization in living systems, where multiple reactions occur in parallel within confined spaces, has inspired the development of droplet networks in the past decade. These fascinating assemblies offer unique and versatile functions that are unattainable by single droplets and have shown their potential as advanced platforms for chemical and biological applications. This review highlights recent progress in the creation and application of droplet networks, covering strategies for generating the droplets and assembling them into functional networks. Key applications such as microreactors, signal conductors, actuators, and power sources are summarized. We also discuss the challenges and future trends in this field, aiming to narrow the gap between fundamental research and real applications.
A Pantropical Analysis of Fire Impacts and Post‐Fire Species Recovery of Plant Life Forms
Authors: Sapkota Dharma P. , Edwards David P. , Massam Mike R. , Evans Karl L.
Published: February 2025

Fires are a key environmental driver that modify ecosystems and global biodiversity. Fires can negatively and positively impact biodiversity and ecosystem functioning, depending on how frequently fire occurs in the focal ecosystem, but factors influencing biodiversity responses to fire are inadequately understood. We conduct a pan‐tropical analysis of systematically collated data spanning 5257 observations of 1705 plant species (trees and shrubs, forbs, graminoids and climbers) in burnt and unburnt plots from 28 studies. We use model averaging of mixed effect models assessing how plant species richness and turnover (comparing burnt and unburnt communities) vary with time since fire, fire type, protected area status and biome type (fire sensitive or fire adaptive). Our analyses bring three key findings. First, prescribed and non‐prescribed burns have contrasting impacts on plant species richness (trees/shrubs and climbers); prescribed fire favours increased species richness compared to non‐prescribed burns. Second, the effect of time since fire on the recovery of species composition varies across all life form groups; forb's species composition recovered faster over all life forms. Third, protection status alters fire impacts on the species richness of trees/shrubs and climbers and species recovery of graminoids. Non‐protected areas exhibit higher species richness compared to protected areas in trees/shrubs, and climbers. Graminoid species composition recovered quicker in protected sites compared to unprotected ones. Since fire intervals are decreasing in fire‐sensitive biomes and increasing in fire‐adaptive biomes, plant communities across much of the tropics are likely to change in response to exposure to fire in the future.
Participatory surveillance reveals marsh deer mortality event during an extraordinary flood in Ibera Wetlands, Argentina
Authors: Orozco M. M. , Guillemi E. C. , Minatel L. , Schapira A. , Caimi K. , Berra Y. , Blanco P. , Di Nucci D. , Farber M. D. , Fernández M. Pilar , Argibay H. D.
Published: February 2025

Mortality events of marsh deer (Blastocerus dichotomus) have been historically described in the southern margins of its geographical range. Few documented cases show how environmental changes and pathogens interact to trigger mortality scenarios and reveal their causes. Here, using a participatory surveillance framework, we document the most extensive marsh deer mortality event observed in the last three decades occurring in Ibera ecoregion, Corrientes, Argentina. Local stakeholders monitored marsh deer disease cases or mortality, and upon detection, emergency response teams conducted extensive field studies, documenting 409 dead marsh deer between May and August 2017. Complete postmortem examinations were performed on 16 deer, revealing hepatic fibrosis associates with Fasciola hepatica and multiple parasite infestations in different tissues. Molecular analysis performed on samples from 82 deer identified parasitic and vector‐borne microorganisms, including Anaplasma marginale, Theileria cervi, and Trypanosoma spp. High‐tick burden and Trypanosoma spp. were significantly associated with deficient body condition. Concurrently, increased precipitation and watershed height significantly expanded flooded areas, with reduced herbaceous cover indicated by land cover analysis. Our findings suggest that prolonged flooding in Ibera played a critical role in the interactions between habitat availability, marsh deer, and parasites. Environmental stressors likely exacerbated the effects of parasitic infections, highlighting the importance of integrating environmental monitoring with wildlife health assessments. Our results contribute to scientific knowledge that provides tools to enhance management efforts focused on protecting the marsh deer population and its critical habitats.
DiverReef: A global database of the behavior of recreational divers and their interactions with reefs over 20 years
Authors: Giglio Vinicius J. , Adelir‐Alves Johnatas , Balzaretti Merino Natalia , Bravo‐Olivas Myrna Leticia , Camp Emma F. , Casoli Edoardo , Chávez‐Dagostino Rosa Maria , Ferretti Eliana , Fraser Douglas , Grillo Ana C. , Jiménez‐Guiérrez Santiago , Leite Kelen L. , Lucrezi Serena , Luiz Osmar J. , Luna‐Pérez Beatriz , McBride Jamie , Milanese Martina , Moity Nicolas , Pinheiro Jonison V. , Renfro Bobbie , Roche Ronan , Saliba Bruna M. , Sara Antonio , Schiavetti Alexandre , Toso Yann , Valle‐Pérez Carlos , Ferreira Carlos E. L.
Published: February 2025

Recreational diving is an important activity in reef environments worldwide, providing income and employment for coastal communities and connecting visiting divers to these ecosystems promoting conservation and stewardship. However, if poorly managed, diving has the potential to cause detrimental effects on benthic communities via mechanical damage caused by physical contact of divers with the reef, often in the form of unintentional fin kicks resulting from poor buoyancy. Understanding diver–reef interaction patterns is important to elucidate the potential impacts of diving tourism on the reef biota. The DiverReef database provides the first public dataset on the underwater behavior of recreational divers in shallow reef environments (<25 m depth) globally and their interactions with the reef seascape and/or reef benthic sessile organisms. The dataset comprises 20 years of data (2004–2023) by observing the behavior of 2311 recreational divers in nine countries at 19 diving destinations and 176 diving sites; 93% of the observations were in marine protected areas. The data were collected through on‐site observations of divers' behavior during tourism activities and their physical interactions with the reef structure and/or benthic sessile reef organisms. Observers discreetly followed divers and recorded their behavior and interactions with the reef over set periods. Interactions were described as “contact” or “damage,” the latter referring to when physical damage to a benthic organism or the reef structure was observed. Besides behavior, observers also recorded data on the type of diving activity (scuba or snorkeling), profiles of the divers (gender and experience), use of cameras by the divers, visibility, type of reef formation, and marine protection status of the dive site. The authors of this research expect that the data provided will be useful in advancing knowledge of how divers interact with reefs and in developing strategies to mitigate the potential detrimental effects of the diving industry on reef biota. Part of the data has already been used in reports and scientific articles. This dataset can be freely used for noncommercial purposes; we request that users of these data cite this data paper in all publications resulting from the use of this dataset.
Chemo‐Enzymatic Synthesis of Mixed Docosahexaenoic Acid Phosphatidylcholine Conjugates
Authors: LEHOUX Jordan , GROSJEAN Felix , LOBO Alexandre , LAGARDE Michel , Bernoud-Hubac Nathalie , DURAND Thierry , CRAUSTE Céline
Published: February 2025

Docosahexaenoic acid (DHA, C22:6 n‐3) is a critical omega‐3 polyunsaturated fatty acid (PUFA) with essential roles in brain and retinal functions. Its selective uptake into these tissues is mediated by several pathways, including the transporter Mfsd2a, which preferentially utilizes lysophosphatidylcholine‐DHA (LPC‐DHA) as a substrate. Due to the low de novo synthesis of DHA, optimizing its dietary intake and exploring novel delivery strategies are important in pathologies that affect PUFA proportion. The present work focuses on developing an efficient chemo‐enzymatic methodology to access structured mixed DHA phosphatidylcholines (mixed DHA‐PCs), valuable biological tools for enhancing drug and/or DHA delivery to the brain and retina. Chemo‐enzymatic methods were established to synthesize mixed sn1‐ or sn2‐DHA‐PC isomers, to study the importance of DHA position, from cost‐effective glycerophosphorylcholine (GPC). The approach aligns with green chemistry principles by leveraging lipase‐catalyzed regioselective acylation and deacylation reactions, thus reducing the number of chemical steps compared to traditional methods. The resulting mixed PCs AceDoPC®, DoAcePC (stabilized forms of LPC‐DHA), and phenolic‐DHA‐PCs were produced at a scale suitable for future in vivo studies, enabling investigations into the positional effect of DHA on brain and retinal uptake.
Determination of Withanolides and Withanosides in Ashwagandha Based Products Using HPLC‐Drift‐Tube‐Ion‐Mobility Quadrupole Time‐of‐Flight Mass Spectrometry
Authors: Zellner Laura , Wierer Markus , Himmelsbach Markus , Schatzmann Benjamin , Thalhamer Bernhard , Klampfl Christian W.
Published: February 2025

A total of 19 products based on extracts from Withania somnifera (L.) Dunal, better known by its more common name ashwagandha, and five products based on ashwagandha root powder were analyzed with respect to their content in the biologically relevant substances belonging to the group of withanolides and withanosides. Using HPLC coupled to drift‐tube ion‐mobility quadrupole time‐of‐flight mass spectrometry (DT‐IM‐QTOF‐MS), 19 withanolides and withanosides could be tentatively identified. The comparison of the results from the quantitative analysis with the information on the product labels showed that the percentage of withanolides and withanosides deviated from the stated specifications by at least a factor of two and at most a factor of 35.
Personality Functioning in Inpatients With Eating Disorders: Association With Symptom Severity and Treatment Outcome
Authors: Heinzmann Sophia , Etzler Sonja , Hartmann Armin , Klein Eva M. , Herpertz Stephan , Pape Magdalena , Heinzmann Stanislav , Doering Stephan , Hofmann Tobias , Rose Matthias , Imbierowicz Katrin , Geiser Franziska , Bierling Antonie , Weidner Kerstin , Rademacher Jörg , Michalek Silke , Morawa Eva , Erim Yesim , Skoda Eva‐Maria , Teufel Martin , Peters Eva Milena Johanne , Kruse Johannes , von Boetticher Dirk , Herrmann‐Lingen Christoph , Noehre Mariel , de Zwaan Martina , Dinger Ulrike , Friederich Hans‐Christoph , Niecke Alexander , Albus Christian , Zwerenz Rüdiger , Beutel Manfred , Roenneberg Casper , Henningsen Peter , Stein Barbara , Waller Christiane , Hake Karsten , Spitzer Carsten , Stengel Andreas , Zipfel Stephan , Weimer Katja , Gündel Harald , Kessler Henrik , Spieler Derek , Lahmann Claas , Zeeck Almut
Published: February 2025

Objective

Impairment in personality functioning (PF) has been linked to a number of mental disorders, including eating disorders (EDs). However, the precise relationship between PF and symptom severity, as well as the potential impact on outcome, remains unclear. The study aimed to analyse the association of PF and its change with severity of ED symptomatology as well as outcome of hospital treatment.

Method

The sample consisted of 397 patients with EDs, treated in 19 university hospitals for Psychosomatic Medicine and Psychotherapy in Germany between 1/2019 and 12/2020. PF was measured with the Structure Questionnaire of the Operationalised Psychodynamic Diagnosis (OPD‐SQ, short version), eating psychopathology with the ED examination questionnaire (EDE‐Q). Outcome was defined as a change in the EDE‐Q total score. We used Latent Change Score Modelling to analyse changes in ED pathology during treatment and a 1‐year follow‐up period.

Results

A higher level of impairment in PF at admission correlated with more eating psychopathology and a less favourable outcome. Additionally, greater improvement in PF correlated with greater improvements in ED symptomatology at discharge.

Conclusion

Impairment in PF needs to be part of diagnostic assessments and should be considered an important treatment target for psychotherapeutic interventions.

Trial Registration

The MEPP study was registered in the German Clinical Trials Register (DRKS, www.drks.de; ID: DRKS00016412)
A WPOD‐Kriging Reduced‐Order Method for Parametric CFD Simulations
Authors: Xia Zhehao , Wu Yizhong
Published: February 2025

High‐fidelity computational fluid dynamics (CFD) simulation usually carries a heavy computational burden, especially for parametric CFD simulations requiring multiple calculations. To address this challenge, researchers have developed reduced‐order modeling (ROM) to significantly decrease the computational burden by building a simplified model. This article proposes a hybrid method of weighted proper orthogonal decomposition and Kriging, a novel reduced‐order method. This method improves the accuracy of the reduced‐order model by assigning appropriate weights to the samples while estimating the specific design parameters. The main innovation of this work is the development of the optimized method for generating the weights. Firstly, the leave‐one‐out method is employed to divide the samples into the training set and test set, and the multivariate Gaussian distribution is used to convert the Euclidean distance between the training set and test set into weight. Then, we adopt the WPOD‐Kriging method to construct a reduced‐order model using the training set. This model is compared with the test set to obtain the error. By repeatedly resetting the training set and the test set, we receive multiple errors and average them to calculate the global error. This process involves an important parameter, which is the covariance matrix of multivariate Gaussian distribution. We can generate the optimal covariance matrix by minimizing the global error to achieve the optimized method for generating the weights. The efficacy of the WPOD‐Kriging method is validated through three parametric CFD simulations. Compared to other similar approaches, the proposed method offers a more accurate reduced‐order model.