bluuebunny/crossref_metadata_2025 huggingface dataset:
Description of Borderline Personality Disorder Hospitalizations for Adolescents and Adults in France Between 2013 and 2022: A Nationwide Retrospective Study
Authors: Dufrenois Florian , Saint‐Dizier Chloé , Veltz Salomé , Valdenaire Sacha , Chazard Emmanuel , Bubrovszky Maxime , Lamer Antoine
Published: January 2025

Borderline personality disorder (BPD) is a frequent disorder with high mental health care utilization. This study aims to describe BPD hospitalization in France: using the French national hospitals database from 2013 to 2022, regarding sociodemographic factors and hospitalization characteristics. In total, this study included 121,235 patients. The sex ratio was 1.76 female for 1 male. The median age at hospitalization was 33 years. Most hospitalizations concerned female patients around 30 years old, were voluntary, full‐time, in public facilities, and lasted around 14 days. Age at first hospitalization decreased between 2015 and 2022. Male patients were more often in public and compulsory care. Hospitalizations were longer when there were comorbidities. The most common comorbidities were mood disorders. The prevalence of BPD inpatients in 2022 approximates 6%. This is the first nationwide French study describing hospitalizations of patients with BPD. Factors influencing inpatient care should be further studied.
Global Prevalence of Mental Health Problems Among Cancer Survivors: A Meta‐Analysis From 31 Countries
Authors: Ge Meng‐Wei , Sheng Jun , Shen Lu‐Ting , Hu Fei‐Hong , Jia Yi‐Jie , Ur‐Rehman Attiq , Li Wei , Lan Jian‐Zeng , Liu Peng , Chen Hong‐Lin
Published: January 2025

Background

With the improvement of medical treatment, the survival rate of cancer patients continues to rise; however, their psychological issues require further management. Currently, there is uncertainty regarding the prevalence of mental health problems among cancer survivors.

Objective

To quantitatively summarize the global prevalence of mental health problems in cancer survivors.

Methods

We searched CINAHL, PsychlNFO, Embase, Web of Science, and PubMed for studies reporting the prevalence of various mental health problems in cancer survivors who have survived at least 3 months. Subsequently, stratified analyses were conducted based on study design, region, cancer system, and time since diagnosis. Moreover, meta‐regression was utilized to investigate sources of heterogeneity. We used Rstudio software 4.3.0, Stata 17.0 software and metaprop package.

Results

A total of 147 studies involving 135,015 cancer survivors from over 30 countries were identified, primarily focusing on six mental health problems. Among 78 studies addressing anxiety, the prevalence was 24.4% (95% CI: 20.2%–28.8%). Among the 96 studies on depression, the prevalence was 23.7% (95% CI: 20.1%–27.4%). In the case of sleep disorders, 42 studies reported a prevalence of 34.1% (95% CI: 27.9%–40.6%). The overall prevalence decreased over time since diagnosis. Most of the analyzed data exhibited significant heterogeneity (I2 > 75%).

Conclusion

The analysis indicated that cancer survivors experience a diverse range of mental health problems, which were prevalent among them. The results emphasized the importance of recognizing and treating mental health problems in cancer survivors and served as a reminder for healthcare workers to address mental health problems in this population. The registration number was CRD42023466209.
Upper Extremity Exercise Capacity and Muscle Oxygenation in Patients With Primary Ciliary Dyskinesia
Authors: Mutlu Şeyma , Boşnak Güçlü Meral , Şişmanlar Eyüboğlu Tuğba , Aslan Ayşe Tana
Published: January 2025

Background and Objectives

Patients with primary ciliary dyskinesia (PCD) have a reduction in exercise capacity from the early stages. Although there are studies investigating these patients' lower extremity exercise capacity using various methodologies, there needs to be more research on the functional exercise capacity of the upper extremities. This study aimed to compare pulmonary function, upper extremity functional exercise capacity, muscle oxygenation, muscle strength, and physical activity level in children with PCD and controls.

Methods

Twenty‐seven children with PCD and 26 controls were included. Pulmonary function (spirometry), upper extremity functional exercise capacity (6‐min pegboard and ring test (6PBRT), muscle oxygenation (Moxy device), deltoid muscle strength (dynamometer), and physical activity level (metabolic holter) were assessed.

Results

Patients' FVC%, FEV1%, FEV1/FVC, PEF%, FEF25%–75%, deltoid muscle strength (%) were statistically decreased compared with controls (p < 0.05). The 6PBRT ring count, deltoid muscle oxygen saturations, and total hemoglobin levels were similar in both groups (p > 0.05).

Discussion

Pulmonary function deteriorates and upper extremity muscle strength decreases in children with PCD. The upper extremity exercise capacity of these patients remains preserved. However, upper extremity resting muscle oxygen saturation is lower in children compared to healthy children. Most patients and healthy children are inactive. The upper extremity exercise capacity possibly declines due to deteriorating pulmonary function as the patients get older, which needs to be investigated routinely. Both upper‐lower extremity aerobic exercise training applied consistently and physical activity counseling as part of their pulmonary rehabilitation program should be considered in children with PCD.
Introduction of Ivacaftor/Lumacaftor in Children With Cystic Fibrosis Homozygous for F508del in the Netherlands: A Nationwide Real‐Life Study
Authors: Zwitserloot A. M. , Aziz S. Z. , Chen Y. , Bannier M. A. G. E. , Janssens H. M. , Merkus P. F. J. M. , Nuijsink M. , Terheggen‐Lagro S. W. J. , Tiddens H. A. W. M. , Zomer‐ van Ommen D. D. , Vonk J. M. , de Winter‐ de Groot K. M. , Willemse B. W. M. , Koppelman G. H.
Published: January 2025

Introduction

Lumacaftor/ivacaftor (lum/iva) was introduced in the Netherlands in 2017. We investigated 1‐year efficacy of lum/iva on lung function and small airway and structural lung disease evaluated by multiple breath nitrogen washout and CT scan. Additionally, we investigated effects of lum/iva on exacerbations, anthropometry, sweat chloride and safety in children with CF in the Netherlands.

Methods

Children with CF aged 6−18 years and homozygous for F508del treated in one of the seven Dutch CF centers for at least 12 months were eligible. Data were extracted from the Dutch CF Registry and electronic patient records. Primary outcome was change in percent predicted FEV1 (ppFEV1) after 12 months.

Results

Nationwide, 247 children with CF were eligible for lum/iva. Eight patients discontinued lum/iva due to side effects. In total, 223/247 children (90.3%) were evaluated. Mean (range) age at baseline was 11.0 (6.0−17.1) years. There was no change in FEV1 after 12 months of lum/iva. In a subgroup, markers of small airway function and structural lung disease, such as LCI (n = 28), mean change (SD) −10.0% (15.8), and bronchus‐artery (BA) analysis on CT scan (n = 81), showed significant improvement (p < 0.01). Moreover, BMI (n = 192), exacerbations (n = 219) and sweat chloride measurements (n = 105) improved.

Conclusion

Lum/iva was generally well tolerated in a real‐life, nationwide pediatric cohort. The efficacy of lum/iva was comparable to phase 3 studies in children. LCI and BA analysis as markers of small airway and structural lung disease showed significant improvement which indicates the importance of these parameters to evaluate treatment effects of CF modulators in children.
Genetic Concordance of Staphylococcus aureus From Oropharyngeal and Sputum Cultures in People With Cystic Fibrosis
Authors: Zirbes Christian F. , Feder Andries , Pamatmat Anthony J. , Bartels Alyssa R. , Pitcher Nicholas J. , Rozen Alexis L. , Teresi Mary , Krogh Justin , Regan Margaret , Arnold Erin A. , Hill Jared J. , Reinhardt Lindsey D. , Oberto Carlos L. , Boyken Linda , Reeb Valérie C. , Moustafa Ahmed M. , Planet Paul J. , Fischer Anthony J.
Published: January 2025

Background

People with cystic fibrosis (CF) may not expectorate sputum at young ages or after they receive CFTR modulators. While oropharyngeal swabs are commonly used to test for lower airway pathogens, it is unknown whether Staphylococcus aureus from the oropharynx matches the strain(s) infecting the lungs. Our goal was to determine whether oropharyngeal and sputum isolates of S. aureus are genetically distinct in a cohort of patients with CF.

Methods

We obtained historical S. aureus isolates from patients who intermittently expectorated sputum in 2018, and we prospectively cultured S. aureus from oropharyngeal swabs and sputum from subjects with CF between August 2020 and February 2022. We performed short‐read whole genome sequencing, determined sequence type, and performed phylogenetic analysis using S. aureus core genome single nucleotide polymorphisms (SNPs). We assigned isolates from a patient to the same strain if they had the same sequence type and differed by ≤ 60 SNPs or the isolates were not disturbed by clade breaker analysis.

Results

36 subjects had S. aureus in ≥ 1 oropharyngeal swab and ≥ 1 sputum in 2018. In the prospective collection, 31 subjects had synchronous oropharyngeal swab and sputum collections. Although polyclonal infections were detected, sputum and oropharyngeal isolates of S. aureus typically matched the same strain within study subjects, both over the span of 2018 (31/36 patients) and when collected simultaneously from 2020 to 2022 (29/31 patients).

Conclusions

In patients with CF who intermittently produce sputum, oropharyngeal swabs identify S. aureus with genetic and phenotypic similarity to those cultured from sputum.
Investigation of the In Vitro Antioxidant, Anticholinesterase, Antiurease, Antityrosinase, and Cytotoxic Properties of a Novel Compound: 4‐Methoxy‐2‐(4‐Methoxyphenyl)Benzo[d][1,3,2]Dioxaborole
Authors: Temel Hamdi , Baydan Emine
Published: January 2025

In this study, the structure of a new boron compound obtained using 3‐methoxy catechol and 4‐methoxy phenyl boronic acid was characterized by 1H, 13C NMR, LC‐MS‐IT‐TOF, UV‐Vis and FTIR spectroscopy. The antioxidant activities of the newly synthesized compound were evaluated by DPPH free radical scavenging, ABTS quation radical scavenging and CUPRAC copper reducing capacity methods. Anticholinesterase activities were determined by acetylcholinesterase and butyrylcholinesterase enzyme inhibitor assays. Antiurease and antithyrosinase enzyme inhibition activities were also examined. Cytotoxic effects were evaluated on healthy cell lines and breast and colon cancer cell lines using MTT method. The results showed that the synthesized compound has high antioxidant activity. Especially the average antioxidant activity values obtained at 10 μg/mL concentration were found to be statistically significantly (p < 0.05) higher than the reference values of α‐TOC and BHT. When the antioxidant activity data (IC50) were compared separately with α‐TOC and BHT reference values, the new compound was found to be more effective. In acetylcholinesterase enzyme inhibition, the average activity values were found to be statistically significantly (p < 0.05) higher than the galantamine reference value. However, no statistically significant difference was observed at BChE (% inhibition) level with galantamine reference value. In terms of urease and tyrosinase enzyme inhibition activities, the urease activity of the synthesized compound was statistically significantly (p < 0.05) lower than the thiurea reference value. Tyrosinase activity was statistically significantly (p < 0.05) lower than kojic acid reference values. The synthesized and characterized compound was found to have no toxic effect on healthy cell lines and did not show any cytotoxic effect on breast cancer (MCF‐7) and colon cancer (HT‐29) cell lines.
An Updated Bio‐Behavioral Profile of the Flinders Sensitive Line Rat: Reviewing the Findings of the Past Decade
Authors: Steyn Stephan F.
Published: January 2025

The Flinders sensitive line (FSL) rat is an accepted rodent model for depression that presents with strong face, construct, and predictive validity, thereby making it suitable to investigate novel antidepressant mechanisms. Despite the translatability of this model, available literature on this model has not been reviewed for more than ten years. The PubMed, ScienceDirect and Web of Science databases were searched for relevant articles between 2013 and 2024, with keywords relating to the Flinders line rat, and all findings relevant to treatment naïve animals, included. Following screening, 77 studies were included and used to create behavioral reference standards and calculate FSL favor ratios for the various behavioral parameters. The GRADE and SYRCLE risk of bias tools were used to scale the quality of these studies. Based on these results, FSL rats display reliable and reproducible depressive‐like behavior in the forced swim test, together with hyperlocomotor activity across various behavioral tests. Despite reports of increased anhedonia, anxiety‐like behavior, and cognitive dysfunction, the reviewed findings indicate that these parameters are comparable between strains. For the various neuro‐ and biological constructs, oxidative stress, energy production, and glutamatergic, noradrenergic and serotonergic neurotransmission received the most support for strain differences. Taken together, the FSL remains a reliable, popular, and translatable rodent model of depression, with strong face and construct validity. As for predictive validity, similar review approaches should be considered to establish whether the mentioned behavioral aspects and neurochemical constructs may be more sensitive (or resistant) to certain antidepressant strategies.
Cu‐Implanted MXene/TiO2 Photoanodes for Efficient Quantum Dot‐Sensitized Solar Cells
Authors: Singh Iqbal , Devi Devarani , Singh Fouran , Mahajan Aman
Published: January 2025

Noble metal‐doped TiO2‐based photoanode for quantum dot‐sensitized solar cells (QDSSCs) has gained significant importance in enhancing performance by increasing the light absorption and subsequently minimizing the number of recombinations due to the formation of new charge trap states. In this work, Cu ions are implanted in MXene/TiO2‐based photoanode at different fluence rates (5 × 1012, 5 × 1013, 5 × 1014, and 5 × 1015 ions cm−2). The X‐ray photoelectron spectroscopy investigations reveal the doping mechanism as at lower fluence, Cu+ ions are present, but as the fluence increased the Cu2+ ions dominate. The field emission scanning electron microscopy and energy‐dispersive X‐ray analysis are used to find the surface morphology and the elemental composition of the implanted samples. The implantation of Cu ions creates new impurity states between the energy bands, thereby enhancing light absorption capabilities and suppressing charge recombinations of the photoanode, which is confirmed by UV‐Vis and photoluminescence spectroscopy. Afterward, Cu‐implanted photoanodes are employed to fabricate QDSSC devices, and the QDSSC based on photoanode implanted at 5 × 1014 ions cm−2 fluence (Cu_3) demonstrates the highest power conversion efficiency of 3.86%, which is 34.9% higher than pristine unimplanted photoanode. This enhancement is attributed to the inhibition of the charge recombinations at the photoanode/electrolyte interface and enhanced light harvesting capability of the photoanode.
Interface Characterization of Plasma‐Treated InAs Electrodes for Resistive Random‐Access Memories Using Capacitance–Voltage Methods
Authors: Andersen André , Mamidala Saketh Ram , Wernersson Lars‐Erik
Published: January 2025

InAs nanowires have been used as selectors and electrodes in a one‐transistor one‐resistor resistive random‐access memory (RRAM) configuration for increased memory scalability. Such oxide‐based memories not only show promise both in conventional memory technology but also as analog memories for neural networks. The small areas of the oxide elements, however, result in challenges for electrical characterization of the oxide–semiconductor interface. By analyzing larger test structures, it is possible to perform impedance spectroscopy on the oxide–InAs interface. In this article, HfO2‐based RRAMs on InAs are fabricated using plasma‐enhanced atomic layer deposition. The effect of the plasma‐length is investigated using capacitance–voltage and DC measurements. It is found that an increased plasma‐length results not only in a higher total electron trapping but also in the formation of a more stable interfacial oxide, possibly related to the stoichiometry of the complex InAs oxide. The findings give us a better understanding of the noise‐ and switching‐performance of scaled nanowire devices.
Influence of Iodine Substitutions on the Photophysical Properties of Rhenium(I) Tricarbonyl Complexes With Pyridine Schiff Base (PSB‐IHB)
Authors: Morales‐Guevara Rosaly , Páez‐Hernández Dayán , Ancede‐Gallardo Evys , Carreño Alexander
Published: January 2025

This theoretical investigation aims to evaluate the influence of iodine substitutions on the phenolic moiety of the pyridine Schiff bases harboring an intramolecular hydrogen bond (PSB‐IHB) ancillary ligand within the monocationic. fac‐[Re(CO)3(N,N)(PSB‐IHB)]+ architecture on photophysical properties, particularly emission range. Optimized structures of two Re(I) tricarbonyl complexes (C1 and C2) were analyzed, revealing a distorted octahedral coordination geometry. Geometric parameters were compared with experimental data from analogous complexes. NBO analysis confirmed the presence of intramolecular hydrogen bonds (IHBs) in both singlet and triplet states, providing significant stabilization. Theoretical calculations predicted three distinct absorption bands for all complexes in dichloromethane, indicating substantial electronic delocalization between the pyridinic and phenolic rings via the azomethine group. These findings underscore the crucial role of delocalization and donor–acceptor interactions in stabilizing Re(I) tricarbonyl complexes and their impact on photophysical properties. Emissions calculated for the C1 and C2 complexes were observed within the range of 632–643 nm. The presence of IHBs was found to be essential for modulating photophysical properties, with emissions attributed to ligand‐to‐ligand charge transfer transitions.
Photon Number Coherence in Quantum Dot‐Cavity Systems can be Enhanced by Phonons
Authors: Hagen Paul C. A. , Bozzio Mathieu , Cygorek Moritz , Reiter Doris E. , Axt Vollrath M.
Published: January 2025

Semiconductor quantum dots are a versatile source of single photons with tunable properties to be used in quantum‐cryptographic applications. A crucial figure of merit of the emitted photons is photon number coherence (PNC), which impacts the security of many quantum communication protocols. In the process of single‐photon generation, the quantum dot as a solid‐state object is subject to an interaction with phonons, which can therefore indirectly affect the PNC. In this study, the origin of PNC in optically excited quantum dots and its interaction with phonons are elaborated upon. In contrast to the expectation that phonons always deteriorate coherence, PNC can be increased in a quantum dot‐cavity system due to the electron–phonon interaction.
Insight Note. Complications of Magnesium Achromatic X‐Rays in XPS: A Historical and Practical Perspective
Authors: Jafari Samira , Linford Matthew R. , Sherwood Peter M. A.
Published: January 2025

The first, modern X‐ray photoelectron spectroscopy (XPS) spectra were collected with magnesium and aluminum Kα X‐rays, where Mg Kα X‐rays have slightly lower widths (FWHMs) and are therefore more desirable when the achromatic X‐rays are used, although they access a slightly smaller binding energy range and lower escape depth. Although most modern instruments have monochromatized, that is, chromatic with the most intense energy selected, sources and usually do not have attached achromatic (whole X‐ray emission range) sources, there are still instruments with achromatic sources producing useful data as well as a large body of earlier literature and databases providing achromatic source data hence the rationale for this Insight Note. Many newer users of XPS are primarily familiar with chromatic X‐ray sources, including higher energy chromatic sources such as Ag/Cr. The purpose of this short paper is to provide information about the value and complexities that are associated with use of Mg Kα and other achromatic X‐ray sources. In its common, achromatic form, the Mg source produces satellite peaks that should be accounted for in precise work. Dual anode X‐ray sources are made by depositing Mg and Al on copper. In operation, the Al window of this dual anode source is placed close to the sample. Unless it is cooled, a disadvantage of this source is that it can heat the sample. It can also deposit adventitious carbon on a sample. When the Mg source degrades, extraneous signals due to copper may appear in the XPS spectrum.
MnFe2O4@L‐Cysteine as a Drug Delivery System, In Vitro Cytotoxicity Evaluation on Human Breast Cancer Cell (MCF7) and DFT Calculation
Authors: Hasankhani Neda , Hosseini Sharieh , Askarizadeh Elham , Mehravi Bita
Published: January 2025

Thanks to their high hydrophilic and magnetic properties, MnFe2O4 nanoparticles (NPs) are recognized as favorable drug carriers. In this study, L‐Cysteine‐modified MnFe2O4 nanoparticles (MnFe2O4@L‐Cysteine) were prepared and characterized. Their cytotoxicity against human breast cancer cell lines (MCF7) was also evaluated by MTT assay. To simulate drug delivery systems, the interaction between modified NP and 5‐fluorouracil (5‐FU) was examined as a breast cancer drug. The MTT results showed the applicability of MnFe2O4@L‐Cysteine nanoparticles as a potential cytotoxic agent in breast cancer treatment. Based on the theoretical calculations, the adsorption energy between L‐Cysteine and 5‐FU was −12.029 kJ/mol and their interaction was spontaneous and exothermic at the temperature range of 278.15 to 288.15 K. Also, the drug release thermodynamically is feasible at body temperature. The calculated electronic descriptors indicated that the electrons were transferred from L‐Cysteine to 5‐FU. Overall, MNFe2O4@L‐Cysteine has the potential to deliver 5‐FU.
One‐Pot Synthesis of a Nitrogen‐ and Iodine‐Doped Graphene Composite for Energy Storage Applications
Authors: Dhumal Pratik , Bondarde Mahesh , Lokhande Kshama , Bhakare Madhuri , Some Surajit
Published: January 2025

With the growth of power generation, portable electronic devices are gaining more attention toward energy storage devices, preferably supercapacitors. In this, the surface of graphene was functionalized with conductive polymer by in situ polymerization of pyrrole (PPy) and doping of iodine via hydrothermal method. Doping iodine (potassium triiodide) and nitrogen (polypyrrole) from their respective precursors made GNI composition more suitable for energy storage applications. The synthesized GNI composite showed the maximum specific capacitance of 200 F g−1 at 1.0 Ag−1 with an efficient specific energy of 22.5 Wh kg−1 and specific power of 1800 W kg−1 in a symmetrically arranged two‐electrode Swagelok type cell. The durability of the synthesized composite was analyzed by cyclic stability at current density 10 Ag−1, retaining up to 85% of its initial capacitance after 10,000 repetitive charge‐discharge cycles. The in situ polymerization of pyrrole with the insertion of iodine makes graphene composition more conductive than control graphene, showing a specific capacitance of 111 F g−1 at 1.0 Ag−1. The one‐pot synthetic approach is a simple, easy, and efficient route toward supercapacitor applications. This approach will provide an easy way to introduce N and I to graphene compositions for various applications, including energy storage materials.
Revolutionizing Dual‐Band Modulation and Superior Cycling Stability in GDQDs‐Doped WO3 Electrochromic Films for Advanced Smart Window Applications
Authors: Wu Wenjun , Tian Maofei , Tang Yanbang , Song Chengyu , Zheng Rongzong , Guo Yang , Jia Chunyang
Published: January 2025

Dual‐band tungsten oxide (WO3) electrochromic films are extensively investigated, yet challenges persist regarding complex fabrication processes and limited cyclic stability. In this paper, a novel approach to prepare graphdiyne quantum dots (GDQDs) doped WO3 films with a hexagonal crystal structure, is presented. Structural characterization reveals that the GDQDs/WO3 possesses a coral‐like, loose structure with high crystallinity due to the synergistic modulation of morphology and crystallinity. Electrochemical tests confirm that this unique structure provides abundant multi‐active sites and efficient electrolyte ion channels, which facilitate the ion insertion/extraction to promote the electrochromic process. The GDQDs/WO3 films exhabit impressive electrochromic performance, with rapid swithing (12.6/8.4 s for bleaching/coloration), high coloring efficiency (104.78 cm2C−1 at 1100 nm), and independent dual‐band transmittance changes (ΔT， with ΔT633 nm = 64.54%, ΔT1100 nm = 83.52% and ΔT1600 nm = 79.80%), and exceptional stability (remained 95.1% modulation range after 20 000 cycles). The unique characteristics of GDQDs lead to the formation of a built‐in electric field via charge transfer, which optimizes and enriches the energy level structure of WO3. This solution not only advances the development of electrochromic technology, but also opens the door for future innovative applications of smart materials.
Photo‐Controllable Förster Resonance Energy Transfer Based on Dynamic Chiral Self‐Assembly of Sequence‐Defined Amphiphilic Alternating Azopeptoids
Authors: Jin Haibao , Liu Fan , Wu Pengchao , Sun Zichao , Sui Pengliang , Cao Yuanyuan , Zhou Yongfeng , Lin Shaoliang
Published: January 2025

Endowing biomimetic sequence–controlled polymers with chiral functionality to construct stimuli‐responsive chiral materials offers a promising approach for innovative chiroptical switch, but it remains challenging. Herein, it is reported that the self‐assembly of sequence‐defined chiral amphiphilic alternating azopeptoids to generate photo‐responsive and ultrathin bilayer peptoidosomes with a vesicular thickness of ≈1.50 nm and a diameter of around ≈290 nm. The photoisomerization of azobenzene moiety facilitates a reversible structural transformation from isotropic peptoidosomes to anisotropic 1D helical nanoribbons (≈80 nm width) under the alternating irradiation with UV and visible lights, consequently leading to the chirality expression and transfer from chiral asymmetric center to achiral azobenzene units. As a biomimetic model with deformation‐induced energy transfer, a non‐invasive azobenzene‐based Förster resonance energy transfer system is unprecedentedly constructed via the introduction of a fluorescent donor of pyrene derivatives and sequentially photo‐regulated the donor/acceptor ratio, displaying a reversible gradient fluorescent color variation from blue to yellow (a broad Stokes shift of ≈200 nm) and a high‐efficient energy transfer efficiency of 97.2%. The photo‐controllable photoluminescence phenomenon endows these chiral aggregates with a proof‐of‐concept application on multi‐colored information encryption. This work provides a prospective strategy to fabricate stimuli‐responsive chiral biomimetic materials with a potential on the light‐controllable switches.
A HTO‐Type Nonlinear Optical Fluorophosphate with Ultrawide Bandgap
Authors: Chen Shanshan , Bai Zhiyong , Song Xianyu , Ouyang Tao , Li Yanqiang , Ding Qingran , Wang Han , Chen Wentong , Luo Junhua , Zhao Sangen
Published: January 2025

Compounds having hexagonal tungsten oxides (HTO) topology are of intense research interests owing to their potential functional properties, such as nonlinear optical (NLO) performances. However, most of the reported HTO‐type compounds exhibit narrow optical bandgaps because of the d–d electronic transition of compositional d0 transition metals and lone pair electrons effect of Se4+/Te4+, which hinder their applications in the high‐energy field, such as deep‐ultraviolet (deep‐UV) region. In this work, a new fluorophosphate, (NH4)3[Sc3F5(PO4)](PO3F)2 exhibiting HTO‐topological structures is reported. Remarkably, the compound shows an ultrawide optical bandgap (Eg(exp.) > 6.2 eV, Eg(cal.) = 6.724 eV), surpassing those of reported HTO‐type compounds. The fact is mainly ascribed to the collaborative effect of Sc3+ without destructive d–d transition, the PO4 and PO3F units having large LUMO‐HOMO gaps. Furthermore, it exhibits a phase‐matchable second‐harmonic generation (SHG) response of ca. 0.65 × KDP, underscoring its potential use for NLO applications. This work provides new opportunities for discovering HTO‐type NLO crystals with ultrawide bandgaps.
Unraveling the Atomistic Mechanism of Electrostatic Lateral Association of Peptide β‐Sheet Structures and Its Role in Nanofiber Growth and Hydrogelation
Authors: Soliman Mohamed A. N. , Khedr Abdulwahhab , Sahota Tarsem , Armitage Rachel , Allan Raymond , Laird Katie , Allcock Natalie , Ghuloum Fatmah I. , Amer Mahetab H. , Alazragi Reem , Edwards‐Gayle Charlotte J. C. , Wychowaniec Jacek K. , Vargiu Attilio V. , Elsawy Mohamed A.
Published: January 2025

Guiding molecular assembly of peptides into rationally engineered nanostructures remains a major hurdle against the development of functional peptide‐based nanomaterials. Various non‐covalent interactions come into play to drive the formation and stabilization of these assemblies, of which electrostatic interactions are key. Here, the atomistic mechanisms by which electrostatic interactions contribute toward controlling self‐assembly and lateral association of ultrashort β‐sheet forming peptides are deciphered. Our results show that this is governed by charge distribution and ionic complementarity, both affecting the interaction patterns between charged residues: terminal, core, and/or terminal‐to‐core attraction/repulsion. Controlling electrostatic interactions enabled fine‐tuning nanofiber morphology for the 16 examined peptides, resulting into versatile nanostructures ranging from extended thin fibrils and thick bundles to twisted helical “braids” and short pseudocrystalline nanosheets. This in turn affected the physical appearance and viscoelasticity of the formed materials, varying from turbid colloidal dispersions and viscous solutions to soft and stiff self‐supportive hydrogels, as revealed from oscillatory rheology. Atomistic mechanisms of electrostatic interaction patterns were confirmed by molecular dynamic simulations, validating molecular and nanoscopic characterization of the developed materials. In essence, detailed mechanisms of electrostatic interactions emphasizing the impact of charge distribution and ionic complementarity on self‐assembly, nanostructure formation, and hydrogelation are reported.
Bioinspired Antiwear Poly(urea‐imide) Composites: Influence of Tribology on Polymer Crystal Structure
Authors: Liao Chaoying , Zhang Zhaozhu , He Yaohui , Yuan Junya , Yang Mingming , Li Peilong , Jiang Wei , Liang Yongmin , Liu Weimin
Published: January 2025

Polymer composite materials encounter considerable challenges in sustaining superior tribological properties at high rotational speeds. Inspired by the microstructure of dragonfly wings, a novel thermally stable and ambient pressure curing poly(urea‐imide) resin (PURI) with excellent tribological properties has been eco‐friendly synthesis using bio‐based greener solvents. Furthermore, The PURI composites enhanced with polyether ether ketone (PEEK) and Polytetrafluoroethylene (PTFE) blended fabrics demonstrate excellent mechanical, with tensile strengths exceeding 175 MPa. The PURI composites synthesized in the green solvent dimethyl isosorbide (DMI) exhibit an average friction coefficient of 0.1160 and an average wear rate of 2.7 × 10−14 m3 (N·m)−1 at 800 r min−1. The excellent tribological performance is primarily attributed to the molecular chain rearrangement of the PURI resin during friction, which leads to the formation of crystalline structures in certain regions, a phenomenon known as friction‐induced crystallization. This process is an entropy‐reducing mechanism that absorbs other forms of energy, such as frictional heat, during the frictional process. Moreover, the PTFE fibers underwent tribochemical reactions resulting in changes to lattice spacing during friction and contributing to the formation of the tribofilm. This study provides new evidence regarding the frictional mechanisms of polymer composites, which is beneficial for designing high‐performance wear‐resistant composites.
Modulation of Donor in Purely Organic Triplet Harvesting AIE‐TADF Photosensitizer for Image‐guided Photodynamic Therapy
Authors: Barman Debasish , Rajamalli Pachaiyappan , Bidkar Anil Parsram , Sarmah Tapashi , Ghosh Siddhartha Sankar , Zysman‐Colman Eli , Iyer Parameswar Krishnan
Published: January 2025

Image‐guided photodynamic therapy is acknowledged as one of the most demonstrative therapeutic modalities for cancer treatment because of its high precision, non‐invasiveness, and improved imaging ability. A series of purely organic photosensitizers denoted as BTMCz, BTMPTZ, and BTMPXZ, have been designed and synthesized and are found to exhibit both thermally activated delayed fluorescence and aggregation‐induced emission simultaneously. Experimental and theoretical studies are combined to reveal that modulation of the donor of the photosensitizer enables distinct thermally activated delayed fluorescence via a second‐order spin‐orbit perturbation mechanism involving lowest singlet charge‐transfer and higher‐lying triplet locally excited states, respectively. Further, different donor strengths and unique aggregations (H‐, J‐ and X‐type packings) greatly influence their color‐tunable up‐converted luminescence and endow them with superb dispersibility in water. The confocal microscopy‐based cellular uptake study confirms the successful internalization of the nano‐probes, while BTMCz enables the generation of reactive oxygen species (singlet oxygen) under white‐light irradiation, enabling the efficient killing of cancer cells.
Post‐Degradation Recovery of CsPbI3 Quantum Dot Solar Cells
Authors: Brunner Julius , Wrzesińska‐Lashkova Angelika , Scalon Lucas , Muniz Ruth Pinheiro , Prudnikau Anatol , Pohl Darius , Löffler Markus , Paulus Fabian , Vaynzof Yana
Published: January 2025

The stability of perovskite quantum dot solar cells is one of the key challenges of this technology. This study reveals the unique degradation behavior of cesium lead triiodide (CsPbI3) quantum dot solar cells. For the first time, it is shown that the oxygen‐induced degradation and performance loss of CsPbI3 quantum dot photovoltaic devices can be reversed by exposing the degraded samples to humidity, allowing the performance to recover and even surpass the initial performance. By careful characterization and analysis throughout the degradation and recovery process, the underlying physical and chemical mechanisms that govern the evolution of the device performance could be identified. It is shown that the ligand shell of the quantum dots, rather than the instability of the semiconducting material itself, is the driving factor in these mechanisms. This highlights the important role of surface chemistry and ligand design in enhancing perovskite quantum dot photovoltaics.
Tetramethylguanidine‐Modified Graphene Oxide as a Gel Polymer Electrolyte Additive for Improving the Performance of Flexible Zinc‐Air Batteries
Authors: Zhao Lianfei , Fei Jingjing , Wei Wentian , Zheng Qingpeng , Pang Yiju , Liang Lizhe
Published: January 2025

Flexible zinc‐air batteries (FZABs) present a promising solution for the next generation of power sources in wearable electronics, owing to their high energy density, cost‐effectiveness, and safety. However, solid‐state electrolytes for FZABs continue to face challenges related to rapid water loss and low ionic conductivity. In this study, a hydrophilic and stable tetramethylguanidine‐modified graphene oxide as an additive, which is incorporated into sodium polyacrylate to develop a high‐performance gel polymer electrolyte (GPE), is designed. The addition of additives makes GPE more hydrophilic, allowing for a wider hydrogen bonding network and more efficient ion transport channels. Due to its stable structure, abundant water channels and fast OH− conductivity, GPE also offers excellent mechanical properties, long‐lasting water retention, and high ionic conductivity (173.9 mS cm−1). FZABs assembled with this GPE exhibit a high open‐circuit voltage of 1.558 V, a cycle life of 230 h, a specific capacity of 810.3 mAh g−1, and a peak power density of 130.5 mW cm−2, coupled with impressive flexibility. These characteristics underscore their significant potential for applications in wearable electronics.
Insights into Interlayer Dislocation Augmented Zinc‐Ion Storage Kinetics in MoS2 Nanosheets for Rocking‐Chair Zinc‐Ion Batteries with Ultralong Cycle‐Life
Authors: Hariram Muruganandham , Pal Pankaj K. , Chandran Anusree S. , Nair Manikantan R. , Kumar Manoj , Ganesha Mukhesh K. , Singh Ashutosh K. , Dasgupta Basundhara , Goel Saurav , Roy Tribeni , Menezes Prashanth W. , Sarkar Debasish
Published: January 2025

Increasing attention to sustainability and cost‐effectiveness in energy storage sector has catalyzed the rise of rechargeable Zinc‐ion batteries (ZIBs). However, finding replacement for limited cycle‐life Zn‐anode is a major challenge. Molybdenum disulfide (MoS2), an insertion‐type 2D layered material, has shown promising characteristics as a ZIB anode. Nevertheless, its high Zn‐ion diffusion barrier because of limited interlayer spacing substantiates the need for interlayer modifications. Here, N‐doped carbon quantum dots (N‐CQDs) are used to modify the interlayers of MoS2, resulting in increased interlayer spacing (0.8 nm) and rich interlayer dislocations. MoS2@N‐CQDs attain a high specific capacity (258 mAh g−1 at 0.1 A g−1), good cycle life (94.5% after 2000 cycles), and an ultrahigh diffusion coefficient (10−6 to 10−8 cm2 s−1), much better than pristine MoS2. Ex situ Raman studies at charge/discharge states reveal that the N‐CQDs‐induced interlayer expansion and dislocations can reversibly accommodate the volume strain created by Zn‐ion diffusion within MoS2 layers. Atomistic insight into the interlayer dislocation‐induced Zn‐ion storage of MoS2 is unveiled by molecular dynamic simulations. Finally, rocking‐chair ZIB with MoS2@N‐CQDs anode and a ZnxMnO2 cathode is realized, which achieved a maximum energy density of 120.3 Wh kg−1 and excellent cyclic stability with 97% retention after 15 000 cycles.
Isomer‐Effects of Aminophenol Decorated Gold Nanoclusters for H2O2 Photoproduction via Two‐Step One‐Electron Oxygen Reduction Reaction
Authors: Li Luhan , Li Zenan , Li Jiacheng , Wang Jiaxuan , Xu Haojie , Yu Haizhou , Lin Qianyu , Huang Hui , Liu Yang , Kang Zhenhui
Published: January 2025

Gold (Au) nanoclustersare promising photocatalysts for biomedicine, sensing, and environmental remediation. However, the short carrier lifetime, inherent instability, and unclear charge transfer mechanism hinder their application. Herein, the Au nanoclusters decorated with three different isomers of o‐Aminophenol, m‐Aminophenol, and p‐Aminophenol are synthesized, namely o‐Au, m‐Au, and p‐Au, which achieve efficient hydrogen peroxide (H2O2) photoproduction through two‐step one‐electron oxygen reduction reaction (ORR). The interfacial kinetics for the photocatalytic process in this system are investigated in detail, in which, the isomer‐effects of aminophenol decorated in Au nanoclusters are definitely elucidated by combining transient photovoltage (TPV), transient potential scanning (TPS), and photo‐induced current (TPC) tests. The reaction pathway of o‐Au, m‐Au, and p‐Au is confirmed to be the same through TPC. Although the conduction band values of o‐Au, m‐Au, and p‐Au are essentially the same under working conditions, the values of surface effective charges (ne) for both m‐Au and p‐Au are higher than that of o‐Au. In addition, m‐Au has a stronger adsorption capacity for O2 and a faster ORR rate. Thus, the m‐Au manifests the highest photocatalytic activity for the H2O2 photoproduction. This work shows a new way for the in‐situ study on charge distribution and transfer on photocatalysts.
Engineering Metal Nanoclusters at the Atomic Level for Effective Electrocatalysis
Authors: Mu Chuan , Liu Zhihe , Yao Qiaofeng , He Qian , Xie Jianping
Published: January 2025

With the advances of nanochemistry in the past several decades, a diverse set of nanomaterials has been developed as electrocatalysts with enhanced activity, selectivity, and durability for electrocatalytic reactions. However, it has remained as a long challenge to systematically understand the mechanism of electrocatalytic reactions, which involves multiple protons‐coupled electron transfer processes and varied products at the atomic level, intrinsically because of the complexity and polydispersity of the traditional nanomaterials. By sharp contrast, ligand‐protected metal nanoclusters (NCs) possess atomically precise structures and abundant active sites, facilitating their applications as effective model electrocatalysts for revealing the mechanism of electrocatalytic reactions. This review summarizes recent progress in atom‐level engineering of metal NCs as model catalysts for electrocatalytic reactions. Specifically, we first discuss the effects of metal composition engineering, including doping and size effects, on the electrocatalytic performance of metal NCs. Then similar electrocatalytic discussion extends to ligand effects of metal NCs, where ligand type and coverage engineering are deciphered. Moreover, we discuss how the overall charge and morphology of NCs modify their electrocatalytic performance. The fundamental and methodological insights summarized in this review should serve as useful references guiding the future development of effective metal electrocatalysts in diverse sectors of industry.
Machine Learning Approaches in Polymer Science: Progress and Fundamental for a New Paradigm
Authors: Xie Chunhui , Qiu Haoke , Liu Lu , You Yang , Li Hongfei , Li Yunqi , Sun Zhaoyan , Lin Jiaping , An Lijia
Published: January 2025

Machine learning (ML), material genome, and big data approaches are highly overlapped in their strategies, algorithms, and models. They can target various definitions, distributions, and correlations of concerned physical parameters in given polymer systems, and have expanding applications as a new paradigm indispensable to conventional ones. Their inherent advantages in building quantitative multivariate correlations have largely enhanced the capability of scientific understanding and discoveries, thus facilitating mechanism exploration, target prediction, high‐throughput screening, optimization, and rational and inverse designs. This article summarizes representative progress in the recent two decades focusing on the design, preparation, application, and sustainable development of polymer materials based on the exploration of key physical parameters in the composition–process–structure–property–performance relationship. The integration of both data‐driven and physical insights through ML approaches to deepen fundamental understanding and discover novel polymer materials is categorically presented. Despite the construction and application of robust ML models, strategies and algorithms to deal with variant tasks in polymer science are still in rapid growth. The challenges and prospects are then presented. We believe that the innovation in polymer materials will thrive along the development of ML approaches, from efficient design to sustainable applications.
Metal–Organic Frameworks Coordination‐Oriented Polymer Dielectrics for Neuromorphic Vision Sensors
Authors: Zhu Dongyang , Du Jing , Peng Zhongxiang , Wang Jian , He Xiang , Li Gen , Ye Long , Ling Haifeng , Zhao Meiting , Lin Hongzhen , Ji Deyang , Hu Wenping
Published: January 2025

Interface engineering based on polymer dielectrics shows great promise in organic field‐effect transistors (OFETs)‐based neuromorphic vision sensors (NeuVS). However, the highly disordered chain arrangement of polymer dielectrics often has a negative impact on the dynamic behavior of charge carriers, thereby affecting the sensing, memory, and computing performance of devices. To this end, we report an effective strategy to improve the orientation of polymer dielectrics by using a coordination combination of metal–organic frameworks (MOFs) and polymer. As a result, the coordination of MOFs with polymers improves the polarization of hydroxyl (−OH) and the resulting interfacial dipole could achieve an increase of photogenerated carriers in NeuVS with both higher mobility (above 20 cm2/(V ∙ s)) and better optical figures of merit than devices without the coordination of MOFs. Furthermore, the new MOFs‐polymer dielectric gives NeuVS devices temporal dynamics that enable better color extraction in static images. More importantly, in‐sensor perception of moving objects was simulated, allowing postprocessing to produce over 95% action recognition accuracy. This attempt provides a new idea for the development of dielectric materials for highly sensitive light detection and visuomorphic computing.
Self‐Aligned Silica Nanoparticle Rear Reflectors for Single‐Junction Si and Perovskite‐Si Tandem Solar Cells
Authors: Turkay Deniz , Blondiaux Nicolas , Boccard Matthieu , Artuk Kerem , Jacobs Daniel Anthony , Gay Julien , Jeangros Quentin , Ballif Christophe , Wolff Christian Michael
Published: January 2025

Infrared light management is crucial to maximize the optical performance of crystalline Si‐based single junction and tandem solar cells. For this end, a low refractive index dielectric is typically inserted under the rear metal and an electrical contact is obtained locally through the dielectric. However, the realization of such an architecture can require numerous fabrication steps that are time and resource intensive. Herein, a simple approach is proposed in which commercially available, low‐cost SiO2 nanoparticles (NPs) are spin coated as rear reflectors on pyramid‐textured Si, leaving the pyramid tips locally exposed for direct contact by an electrode without additional patterning. In Si heterojunction solar cells, complementing a 40 nm‐thick indium tin oxide (ITO) layer with the SiO2‐NPs yields a gain of 0.3 mA cm−2 in short‐circuit current density compared to that obtained with a bare, 100 nm‐thick ITO layer. Combined with reduced electrical losses, power conversion efficiency gains of 0.5%abs to 0.3%abs for single junction Si and perovskite‐Si tandem cells are demonstrated, respectively. Finally, it is shown that the NPs can also be processed on large areas via blade coating and that the process can be further simplified by a change in the fabrication sequence of the SiO2‐NP and ITO layers.
Spin‐Coating Se in Precursor to Improve Absorber Crystallinity and Reduce Defects Enabling 13.57% Efficiency for Kesterite Solar Cells
Authors: Wang Yuanyuan , Wang Jiaqi , Wu Zucheng , Meng Yuena , Zhu Jichun , Kou Dongxing , Zhou Wenhui , Zhou Zhengji , Qi Yafang , Yuan Shengjie , Han Litao , Wu Sixin
Published: January 2025

Poor crystallinity is a common problem of kesterite absorbers based on non‐hydrazine solution method, which obstructs charge transfer and affects photovoltaic performance of the thin‐film devices, especially the open‐circuit voltage (VOC). Se diffusion is often insufficient during the crystal growth of kesterite absorber, resulting in uneven selenization reaction. Herein, Se molecule is introduced into kesterite precursor film to promote the absorber crystallinity while preventing the formation of a thick Mo(Se,S)2 layer. It is found that after Se‐introduction treatment, Se element distributes more uniformly in the absorber film after high‐temperature annealing. During selenization, the lower part of the precursor film can easily obtain Se and experience crystallization, thus promoting the crystallization of the whole absorber. As a result, the absorber defects are passivated. According to charge carrier characterization, the carrier lifetime of the device is prolonged due to the reduced carrier recombination centers. Finally, a champion device with the VOC increases by 23 mV, and an efficiency of 12.39% (active area efficiency of 13.57%) is achieved.