bluuebunny/crossref_metadata_2025 huggingface dataset:
An Enhanced Osseointegration of Titanium Implants by H2S Sustained‐Release Coating via Promoting Osteogenesis and Inhibiting Osteoclastogenesis
Authors: Xia Zuyan , Sun Xinyu , Mu Caiyun , Wang Kai , Ma Wenyu , Yang Wei , Xu Kui
Published: February 2025

The surfaces of titanium implants lack the ability of promoting osteogenesis and inhibiting osteoclastogenesis, which primarily contributes to their inadequate integration with surrounding bone tissue in osteoporotic environments. Developing a bioactive coating for the materials is regarded as a promising approach to address the challenge. In this study, a hydrogen sulfide (H2S) sustained‐release coating is fabricated on the surfaces of titanium implants. The coating consists of bovine serum albumin nanoparticles encapsulating the H2S donor morpholin‐4‐ium(4‐methoxyphenyl)‐morpholin‐4‐ylsulfanylidenesulfido‐λ5‐phosphane (GYY4137), which is prepared with the participation of dopamine self‐polymerization. The release rate of H2S could be precisely controlled by adjusting the crosslinking degree of the nanoparticles. The coating proves to have excellent biocompatibility and satisfactory hemocompatibility. In vitro, the coating could significantly promote the osteogenic differentiation of bone marrow mesenchymal stem cells (BMSCs) and inhibit the osteoclastic differentiation of mouse monocytic macrophage leukemia cells (RAW264.7 cells). In vivo, this work successfully verifies the conclusion obtained in vitro experiments. The coating restores the bone homeostasis imbalance surrounding the functionalized titanium implants in the femurs of osteoporotic rats, thereby accelerating new bone formation and enhancing the osseointegration capability of the implants. This work provides a practical strategy for the development of titanium implants suitable for osteoporosis patients.
Low‐Volatility Fused‐Ring Solid Additive Engineering for Synergistically Elongating Exciton Lifetime and Mitigating Trap Density Toward Organic Solar Cells of 20.5% Efficiency
Authors: Song Xin , Zhang Busheng , Liu Xingting , Mei Le , Li Hongxiang , Yin Shanshan , Zhou Xinjie , Chen Huilong , Lin Yijin , Zhu Weiguo , Chen Xian‐Kai
Published: February 2025

Volatile solid additives (VSAs) with single or fused‐ring structures have attracted much attention for enhancing power conversion efficiencies (PCEs) of organic solar cells (OSCs). While the working mechanisms of high‐volatility single‐ring additives have been well studied, the influence of low‐volatility fused‐ring VSAs on molecular aggregations and exciton/carrier dynamics remains still unclear. Herein, 3,6‐dibromothieno[3,2‐b]thiophene (3,6TTBr) is selected as a representative low‐volatility fused‐ring VSA to elucidate its working mechanism. Via the theoretical and experimental joint investigation, it is found that rigid and planar 3,6TTBr molecules adsorb onto the terminal units of L8‐BO (acceptor), inducing loose space for adjacent molecules. The low‐volatility 3,6TTBr thus favors the L8‐BO center‐terminal packing with a larger interfragment distance, which relieves the L8‐BO over‐aggregation and induces the ordered packing. Consequently, the 3,6TTBr treatment reduces aggregation‐caused quenching, enhancing the photoluminescence quantum yield and exciton lifetime of L8‐BO film. The combination of the above properties with the reduced trap density and improved carrier transport in the 3,6TTBr‐treated devices contributed to PCE of 20.1%. To validate the broad applicability of the findings, 1,5‐dibromonaphthalene (1,5‐BN), another low‐volatility fused‐ring solid, is explored. The devices with 1,5‐BN achieved an impressive PCE of 20.5%, verifying the validity of the low‐volatility fused‐ring VSA strategy for boosting OSC performances.
Rapid and Large‐Scale Synthesis of High‐Crystalline Imide Covalent Organic Frameworks Accelerated by Self‐Generated Water
Authors: Qin Yutian , Du Jing , Zhang Qingyun , Cheng Chuanqi , Dong Zefei , Zhang Qi , Li Shaopeng , Guo Jun , Tang Zhiyong , Zhao Meiting
Published: February 2025

Imide covalent organic frameworks (COFs) are considered promising materials in various fields due to their exceptional stability, large surface area, and high porosity. However, current synthesis methods of imide COFs typically involve complex vacuum operations, large amounts of solvents, and long reaction times at high temperatures, limiting their scalability for industrial production. Herein, a facile self‐accelerated strategy is developed for rapid, low‐cost, and large‐scale synthesis of eight imide COFs (SACOFs) under solvent‐free, vacuum‐free, and low‐temperature conditions. Mechanistic studies reveal that the self‐accelerated synthesis is driven by the self‐generated water under atmospheric conditions, which accelerates the reversible self‐healing of disordered polymers, ultimately leading to the rapid synthesis of highly crystalline COFs. Notably, the only additive required besides the COF monomers is o‐substituted benzoic acid, a small amount of which is grafted onto the imide COFs, enabling their straightforward functionalization. Thiol‐functionalized SACOFs are synthesized as supports for anchoring Pd nanoparticles. The as‐prepared Pd@SACOFs exhibit high activity and selectivity in the hydrogenation of substituted nitrobenzene due to the surface modulation of Pd by thiol groups. The self‐accelerated synthetic strategy enables rapid, low‐cost, and large‐scale production of imide COFs, potentially paving the way for their transition from laboratory research to commercial applications.
Deep‐Blue OLEDs with BT. 2020 Blue Gamut, External Quantum Efficiency Approaching 40%
Authors: Xiao Zhengqi , Zou Yang , Chen Zhanxiang , Miao Jingsheng , Qiu Yuntao , Huang Zhongyan , Cao Xiaosong , Peng Xiaojun , Yang Chuluo
Published: February 2025

The hyperfluorescence (HF) technology holds great promise for the development of high‐quality organic light‐emitting diodes (OLEDs) for their excellent color purity, high efficiency, and low‐efficiency roll‐off. Sensitizer plays a crucial role in the performance of HF devices. However, designing sensitizers with simultaneous high photoluminescence quantum yield (PLQY), rapid radiative decay (kr), and fast reverse intersystem crossing rate (kRISC) poses a great challenge, particularly for the thermally activated delayed fluorescence (TADF) sensitizers targeting deep‐blue HF device. Herein, by introducing a boron‐containing multi‐resonance‐type acceptor into the multi‐tert‐butyl‐carbazole encapsulated benzene molecular skeleton, two TADF emitters featuring hybridized multi‐channel charge‐transfer pathways, including short‐range multi‐resonance, weakened through‐bond, and compact face‐to‐face through‐space charge‐transfer. Benefiting from the rational molecular design, the proof‐of‐concept sensitizers exhibit simultaneous rapid kr of 5.3 × 107 s−1, fast kRISC up to 5.9 × 105 s−1, a PQLY of near‐unity, as well as ideal deep‐blue emission in both solution and film. Consequently, the corresponding deep‐blue HF devices not only achieve chromaticity coordinates that fully comply with the latest BT. 2020 standards, but also showcase record‐high maximum external quantum efficiencies nearing 40%, along with suppressed efficiency roll‐off.
Interfacially Weakened Förster Resonance Energy Transfer of Biocompatible Hole Transport Layers for Enhanced Perovskite Light‐Emitting Diodes
Authors: Huang Yuqiang , Wang Qungui , Mu Maolin , Pan Lunyao , Song Peng , Drafi Arslan Ahme , Yang Weiqing , Li Yuanzuo
Published: February 2025

The green, low‐cost, and biocompatible organic semiconductor chlorophyll (Chl) is an ideal alternative hole transport layer of perovskite light‐emitting diodes (PeLEDs). However, the excessive electrostatic interaction between the chlorophyll molecules and the perovskite luminescent layer can severely lead to a Förster resonance energy transfer (FRET) phenomenon at the interface and greatly reduce the performance of PeLEDs. Here, sodium copper chlorophyllin (NaCu‐Chl) with a unique “single‐point configuration” of negative electrostatic potential distribution is theoretically designed to effectively weaken the interfacial electrostatic anchoring effect and successfully suppress the interfacial FRET. Experimentally, its weaker interfacial FRET is proved to result in a stronger photoluminescence (PL) at 528 nm as well as a longer exciton lifetime. Furthermore, its more matched energy levels with perovskite can lead to a smaller hole injection barrier, effectively reducing nonradiative recombination. As a result, the NaCu‐Chl‐based PeLEDs device exhibits a higher external quantum efficiency (EQE) of 7.53%, 5.75 times luminance (65024 cd m−2), and 4.27 times half lifetime (T50) compared to Chl‐based PeLEDs. Evidently, this work provides a strategy to effectively suppress intrinsically strong FRET at the chlorophyll/perovskite interface for efficient PeLEDs and promotes the promising application of green, low‐cost, and biocompatible chlorophyll hole transport layer (HTL) in PeLEDs.
Spatially Controlled Optical Vortex Generation Using Low‐Loss Antimony Telluride Metasurfaces
Authors: Yang Chengsen , Zhu Shuguang , Ma Huishan , Tang Weiwei , Yu Yiming , Zheng Zexing , Hong Jie , Liu Changlong , Ding Songyuan , He Jiale , Li Guanhai , Chen Xiaoshuang
Published: February 2025

Optical vortex beams, endowed with orbital angular momentum (OAM) due to their helical wavefronts, are essential for advancements in optical manipulation, quantum computing, and communication technologies. Existing methods for generating vortex beams often struggle with issues such as low efficiency, limited scalability, and rigid control over beam properties. To address these limitations, we have developed a novel vortex beam generator utilizing a plasmonic metasurface constructed from the antimony telluride (Sb2Te3). Distinct from traditional plasmonic materials, Sb2Te3 offers significantly lower optical losses in the visible spectrum, enhancing both efficiency and beam quality. By integrating the Pancharatnam–Berry phase mechanism with Sb2Te3's low‐loss characteristics, the approach facilitates unprecedented control over the beam's propagation trajectory and OAM mode. This design allows not only customizable beam trajectories but also manipulation of OAM for controlled topological charge evolution, which is beneficial for scalable and integrated photonic systems. The demonstrated vortex beam, using Sb2Te3, paves the way for more compact, efficient vortex beam generation, broadening their potential applications in photonic technologies.
Density of States and Binding Energy Informatics for Exploring Early Disease Detection in MOF‐Metal Oxide Chemiresistive Sensors
Authors: Nurhuda Maryam , Otake Ken‐ichi , Kitagawa Susumu , Packwood Daniel M.
Published: February 2025

Human breath contains over 3000 volatile organic compounds, abnormal concentrations of which can indicate the presence of certain diseases. Recently, metal–organic framework (MOF)‐metal oxide composite materials have been explored for chemiresistive sensor applications, however their ability to detect breath compounds associated with specific diseases remains unknown. In this work, a new high‐throughput computational protocol for evaluating the sensing ability of MOF‐metal oxide toward small organic compounds is presented. This protocol uses a cluster‐based method for accelerated structure relaxation, and a combination of binding energies and density‐of‐states analysis to evaluate sensing ability, the latter measured using Wasserstein distances. This protocol is applied to the case of the MOF‐metal oxide composite material NM125‐TiO2 and is shown to be consistent with previously reported experimental results for this system. The sensing ability of NM125‐TiO2 for over 100 human‐breath compounds spanning 13 different diseases is examined. Statistical inference is then used to identify diseases which subsequent experimental efforts should focus on. Overall, this work provides new tools for computational sensor research, while also illustrating how computational materials science can be integrated into the field of preventative medicine.
An inter‐laboratory comparison of soil organic carbon analysis on a farm with four agricultural management systems
Authors: Brinton William , Basso Bruno , Millar Neville , Covey Kris , Bettigo Charles , Jagadamma Sindhu , Loeffler Frank
Published: February 2025

Soil organic carbon (SOC) as a key soil health indicator is integral to the soil's capacity to function as a vital living ecosystem that sustains plants, animals, and humans. Accurate SOC estimation is essential to decision‐making for an increasing number of stakeholders, such as farmers, industry professionals, and policymakers, to determine the environmental benefit of agricultural practices, and more recently, allocate financial rewards through carbon market initiatives. Our study examined SOC variability in soils from four different regenerative management systems on a single farm using stratification and sample compositing, and analyzed by four different laboratories using dry combustion, the recommended analytical method, but one which varied according to laboratory standard operating procedures (SOP). Results showed significant variation in SOC levels for the same soil samples at different laboratories (1.6 ± 0.2 g kg−1), variation comparable to that between the distinct management systems (1.5 ± 0.4 g kg−1). Our findings show that analytical variability within and between laboratories must be considered, that use of the same laboratory, and to the extent possible the same SOP for successive SOC measurements at the same location is necessary, and that rigorous stratification alongside minimal sample consolidation should be conducted to generate analytical sample numbers that cater to logistics, economics, and scientific rigor.
Acute Myeloid Leukemia: 2025 Update on Diagnosis, Risk‐Stratification, and Management
Authors: Shimony Shai , Stahl Maximilian , Stone Richard M.
Published: February 2025

Disease Overview

Acute myeloid leukemia (AML) is a bone marrow stem cell cancer that is often fatal despite available treatments. Diagnosis, risk assessment, monitoring, and therapeutic management of AML have changed dramatically in the last decade due to increased pathophysiologic understanding, improved assessment technology, and the addition of at least 12 approved therapies.

Diagnosis

The diagnosis is based on the presence of immature leukemia cells in the blood, and/or bone marrow or less often in extra‐medullary tissues. New biological insights have been integrated into recent classification systems.

Risk Assessment

The European Leukemia Network has published risk classification algorithms for both intensively and non‐intensively treated patients based on cytogenetic and on molecular findings. Prognostic factors may differ based on the therapeutic approach.

Monitoring

Our increasing ability to quantify lower levels of measurable residual disease (MRD) potentially allows better response assessment, as well as dynamic monitoring of disease status. The incorporation of MRD findings into therapeutic decision‐making is rapidly evolving.

Risk Adapted Therapy

The availability of 12 newly approved agents has been welcomed; however, optimal strategies incorporating newer agents into therapeutic algorithms are debated. The overarching approach integrates patient and caregiver goals of care, comorbidities, and disease characteristics.
Prevalence of subjective cognitive decline and its association with physical health problems among urban community dwelling elderly population in South India
Authors: Menon Jayakumar , Kantipudi Suvarna Jyothi , Vinoth Stanley , Kuchipudi Jyothsna Devi
Published: February 2025

INTRODUCTION

No studies in India have explored subjective cognitive decline (SCD), a hallmark of stage II of preclinical Alzheimer's disease. This study aims to assess the prevalence and correlates of SCD in a South Indian, urban, elderly population.

METHODS

We screened 403 individuals 60 years of age and older using the Subjective Memory Complaints Questionnaire (SMCQ) and measured objective cognition with the Montreal Cognitive Assessment (MoCA). Physical health parameters were evaluated for all participants.

RESULTS

Among the participants, 377 (93.5%) reported subjective memory complaints. Of the 26 individuals without SCD, 15(57.7%) had objective cognitive impairment (MoCA <25). A total of 182 participants (45.2%) were identified with SCD. Higher educational attainment was significantly associated with fewer SCD reports and better cognitive performance (p < 0.001).

DISCUSSION

Subjective cognitive decline (SCD) is highly prevalent among older adults. Screening for SCD can help identify individuals at risk for Alzheimer's disease. SCD assessement combined with cost‐effective biomarkers that confirms AD will help individuals to be identified for disease‐modifying therapies.

Highlights

Nearly half of older adults population screened has reported subjective cognitive decline (SCD), highlighting the widespread occurrence of SCD in urban South India.

Participants with higher educational attainment had significantly fewer memory complaints and performed better on cognitive assessments.

SCD was prevalent even among individuals without major comorbid conditions such as diabetes and hypertension and those who were on regular treatment for metabolic and cardiovascular disorders.

Identifying subjective cognitive decline (SCD) can facilitate early and accurate diagnosis of cognitive disorders and help delay progression to dementia. This highlights the importance of developing and implementing improved public health strategies to address these challenges.

Further longitudinal studies are necessary to explore the progression of SCD to dementia, focusing on the interplay between cognitive health, biomarkers, and educational factors in the Indian population.
Influence of alpha‐synuclein on glucose metabolism in Alzheimer's disease continuum: Analyses of α‐synuclein seed amplification assay and FDG‐PET
Authors: Mak Elijah , Przybelski Scott A. , Wiste Heather J. , Fought Angela J. , Schwarz Christopher G. , Senjem Matthew L. , Jack Clifford R. , Lowe Val J. , Petersen Ronald C. , Boeve Bradley F. , O'Brien John T. , Kantarci Kejal ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: February 2025

INTRODUCTION

We investigated the association between alpha‐synuclein (α‐syn) pathology and brain glucose metabolism across the cognitive spectrum of Alzheimer's disease (AD) co‐pathologies.

METHODS

Fluorodeoxyglucose positron emission tomography (FDG‐PET) data from 829 Alzheimer's Disease Neuroimaging Initiative participants (648 cognitively impaired [CI], 181 unimpaired [CU]) were compared between α‐syn seed amplification assay (SAA) positive and negative groups. Interactions with cerebrospinal fluid (CSF) AD biomarkers were examined.

RESULTS

SAA+ was associated with widespread hypometabolism among CI individuals, particularly in posterior cortical regions, independent of CSF amyloid and tau levels in the occipital lobes. Regional hypometabolism mediated the effect of α‐syn SAA on disease severity in CI individuals, independent of CSF amyloid and tau levels. There were no influences of SAA on FDG‐PET in CU individuals.

DISCUSSION

This study supports a model in which α‐syn aggregation influences metabolic dysfunction, which then influences clinical disease severity, independent of AD. SAA+ could help optimize participant selection and outcome measures for clinical trials in AD.

Highlights

α‐synuclein seed amplification positivity (SAA+) was associated with hypometabolism in cognitively impaired individuals.

Hypometabolism mediated the influence of α‐synuclein on disease severity.

Occipital hypometabolism in SAA+ was independent of cerebrospinal fluid levels of Alzheimer's disease pathology.

These findings can optimize future clinical trials targeting α‐synuclein pathology.
White matter injury, plasma Alzheimer's disease, and neurodegenerative biomarkers on cognitive decline in community‐dwelling older adults: A 10‐year longitudinal study
Authors: Hu Qili , Zhou Xiaowen , Xiao Zhenxu , Zhao Qianhua , Ding Ding , Zhang Jun
Published: February 2025

INTRODUCTION

This study aimed to investigate the synergistic impact of white matter injury, Alzheimer's disease, and neurodegenerative pathology on long‐term cognitive decline and dementia risk in older adults.

METHODS

We included 262 dementia‐free participants with baseline and follow‐up interviews (2010–2021). At baseline, peak width of skeletonized mean diffusivity (PSMD) was assessed from diffusion tensor imaging. Plasma phosphorylated tau 217 (p‐tau217) and neurofilament light chain (NfL) were measured using a single‐molecule immune‐array assay. Cognitive function was evaluated using Mini‐Mental State Examination (MMSE) and domain‐specific cognitive tests.

RESULTS

Participants with high‐level PSMD, p‐tau217, and NfL showed the fastest decline of MMSE (β = −0.30) and the highest dementia incidence of 3.54/100 person‐years. A combination model with three markers demonstrated a good predictive value for dementia, incorporating age, sex, education, and apolipoprotein E (area under the curve = 0.93, 95% confidence interval = 0.86, 0.99).

DISCUSSION

Combining co‐pathology markers may identify individuals with a high risk of cognitive decline.

Highlights

Peak width of skeletonized mean diffusivity (PSMD) was correlated with long‐term cognitive decline, and this correlation was modified by plasma phosphorylated tau (p‐tau)217 and neurofilament light chain (NfL).

Participants with high levels of PSMD, p‐tau217, and NfL showed the fastest cognitive decline and the highest risk of dementia.

A combination of the three markers exhibited a good predictive value of incident dementia over a 10‐year follow‐up period.
Full‐Scale Regulation Enabled High‐Performance Sodium O3‐Type Layered Cathodes
Authors: Hong Ningyun , Zhang Shuncheng , Li Jianwei , Wang Haoji , Huang Jiangnan , Hu Xinyu , Zhang Baichao , Hua Fang , Zeng Jingyao , Jian Weishun , Sun Chao , Bugday Nesrin , Deng Wentao , Zou Guoqiang , Hou Hongshuai , Hu Zhanggui , Long Zhen , Wu Yicheng , Ji Xiaobo
Published: February 2025

O3‐type cathodes hold considerable promise in achieving rapid commercialization due to high energy density. However, severe structural/interfacial deterioration, along with kinetic hindrance, typically resulting in rapid capacity fading and serious safety risk at elevated cut‐off voltages. Herein, inspired from solubility limitation of hetero‐elements, synchronous surface‐to‐bulk multifunctionally full‐scale modified O3‐NaNi1/3Fe1/3Mn1/3O2 is proposed to maintain its state of health (SOH). The perovskite‐type CaZrO3 protective layer in situ formed on the surface of primary particles, helps to construct a stable cathode‐electrolyte‐interphase architecture, mitigate the unexpected interfacial side reactions and prevent transition metal dissolution. Simultaneously, Ca2+ pillars, robust Zr−O bonds and the highly electronegative F− are adequately anchored into ternary lattice sites of Na‐TM−O, respectively, thereby reinforcing the TMO6 octahedra and facilitating Na+ diffusion. Notably, the intrinsic lattice strain is effectively alleviated due to an additional intergrowth phase transition of P3‐OP2. More impressively, migration of Jahn‐Teller distorted Fe4+O6 is further restrained, originating from the strengthened coordination environment under deep‐desodiation state. Consequently, as‐designed NFM‐CZF achieves an impressive rate capability and a remarkable capacity retention of 83.8 % after 300 cycles at 2 C. This elaborate work shed valuable insight into mechanism of regulating internal full Wyckoff‐site and external surface structure for sodium‐ion batteries with enhanced durability.
A Nanotherapeutic Agent for Synergistic Tumor Therapy: Co‐activation of Photochemical‐Biological Effects
Authors: Liu Junwei , Liu Yang , Zhi Songsong , Yang Yonggang , Kim Heejeong , Wu Dapeng , Wang Ge , James Tony D. , Yoon Juyoung , Zhang Hua
Published: February 2025

Single‐mode photodynamic therapy (PDT) based on photochemical reactions is limited by the tumor microenvironment, which reduces the ablation efficiency for solid tumors. Making it vital to seek ways to improve the tumor therapeutic effect. Based on this, we propose a dual‐mode intelligent nanotherapeutic system (HAP@BMPns) based on photochemical‐biological effects. HAP@BMPns is composed of an acid‐responsive high‐calcium biomimetic nanomaterial (HAP) and photosensitizer (BMP), which can spontaneously activate photochemical (Type‐I PDT) and biological effects for synergistic cancer therapy. HAP@BMPns breaks down upon entering tumor cells under acidic conditions, releasing a large amount of Ca2+ and BMP. Triggering intracellular Ca2+ overload, which induces mitochondrial damage, leading to apoptosis. Synchronously, Type‐I PDT of BMP under two‐photon (800 nm) laser irradiation becomes activated, resulting in enhanced destruction of tumor cells by the photochemical effect. Cell studies have indicated that HAP@BMPns (41.6 μg/mL) exhibits a strong inhibitory efficiency on tumor cells growth, with low (22.4%) survival rate. However, the individual components, i.e. BMP (5.0 μM) and HAP (41.6 μg/mL) display low inhibitory efficiency with high survival rates (55.9% and 63.0% respectively). Therefore, this dual‐mode synergistic treatment strategy using acid‐triggered photochemical‐biological effects significantly enhances the ablation of solid tumors, realizing the synergistic effect.
Finding Introgression From ‘Native’ Stocks When Looking for Population Structure in Brown Trout (Salmo trutta)
Authors: Sanz Nuria , González Gustavo
Published: February 2025

In brown trout, population structure is the result of a combination of factors such as the geographic distance, the altitude, the hierarchy of the hydrography and the presence of physical barriers totally or partially impassable for trout. Structure can even occur within populations, because of the lack of random mating (panmixia) between individuals, which is often a consequence of stocking with exogenous fish. In this study, we aimed to evaluate fragmentation in brown trout populations of the Pedroso River (Duero basin) to assess the effect of artificial barriers in this system. Our results indicated a significant isolation of populations in the headwaters, which translates into a low genetic diversity, a small effective population size and a high rate of inbreeding. We also found an unexpected substructure in one of the downstream localities (PED‐02), where the youngest individuals were genetically different. Genetic analysis confirmed that these rare individuals come from a hatchery native stock used to stocking Pedroso River. Because this stock was originated with individuals from Pedroso itself, we must consider that a strong founder effect took place. Over the years, genetic drift accentuated the genetic differentiation of this stock from the original population. From our results, we made some recommendation for the management and conservation of brown trout in the Pedroso River, based on the removal of the main barriers that isolate the upstream populations, after stopping the restocking carried out with ‘native invaders’ fish from the local hatchery.
New Charge Transfer Complexes of Self‐Assembled TCNQ Derivatives and Picric acid:Synthesis, Characterization, Crystallography and Sensing Application”
Authors: Mohitkar Anuradha Sureshrao , Jayanty Subbalakshmi
Published: February 2025

TCNQ derivatives with primary/secondary amines as substituents are commonly known as diaminodicyanoquinodimethanes (DADQs); a D‐π‐A molecular system, being zwitterionic are generally stable. Facile and simple charge transfer (CT) complexes were achieved by the reaction between 7,7‐bis(N,N‐dimethylethylenediamino)‐8,8‐dicyanodimethane (BMEDDQ),7,7‐bis(N,N‐diethylethylenediamino)‐8,8‐dicyanoquinodimethane (BDEDDQ) and picric acid (PA); resulting in BMEDDQ‐PA [1] and BDEDDQ‐PA [2], followed by effortless crystallization. [1], [2] were characterized by crystallography, spectroscopic and microscopic techniques. Crystallographic investigations revealed extensive H‐bonding, π‐π stacking, short contacts (< sum of the Van der Waals radii of atoms) among [1], [2] (molecular dipoles) and PA moieties; leading to the supramolecular self‐assemblies. Aggregation‐caused quenching (ACQ) was observed in solid [1] and [2], marking non‐emissive feature, compared to their solutions. BMEDDQ and BDEDDQ were further utilized for PA sensing. The limit of detection (LOD) was ~ 3.0×10‐6 M. Field emission scanning electron microscopy (FESEM) manifested varied aggregate formation with increasing PA concentration.  Simplicity in synthesis and analysis accompanied by immediate color change i.e. fast response/fluorescence‐based quenching was noteworthy. Moreover, selectivity for PA, good sensitivity in solid as well as solution, and solubility in MeCN: H2O (1:9) mixture accomplish adequacy in detection from water bodies, thus manifest BMEDDQ and BDEDDQ as potential chemosensors for the detection of PA.
Didactic Strategy for Applied Learning of Control of State‐Space Systems Through Low‐Cost Electronic Modules
Authors: Rivadeneira Pablo S. , Candelo Jhon E. , Hoyos Fredy , Botero Héctor A.
Published: February 2025

There is a growing need to apply advanced control techniques in industrial processes, and the state space provides modern tools for solving these requirements. Engineers and scientists must be prepared to offer solutions for the industry according to the advances, requiring proper knowledge acquired from their careers in Universities. However, courses in state‐space control theory in some educational institutions lack the practical experience to implement the controllers designed by students and only use simulations to enhance the understanding of this theory. Therefore, this paper proposes a didactic strategy for applied control learning within the framework of the state‐variable control course through individual, portable, and low‐cost modules. The method is based on the building of two types of electronic modules that allow students to perform a self‐practical laboratory. In addition, classroom action research is applied, considering a purposive sampling of students. The research also considers theoretical and practical interventions to explain to students the use of each electronic module and the requirements for performing the tests. An evaluation tool is designed to assess the knowledge of the students before and after the intervention. The results show how students improve their performance in control theory and achieve more advanced concepts of control implementation. The first test showed that of all students enrolled in the course, only 5% obtained good grades. After the first practical intervention, up to 49% of the students obtained good grades. The final practical intervention allowed more than 80% of the students to achieve high grades.
Structural Biology of RNA and Protein‐RNA Complexes after AlphaFold3
Authors: Hennig Janosch
Published: February 2025

Recent breakthroughs in AI‐mediated protein structure prediction have significantly accelerated research and generated valuable hypotheses within the field of structural biology and beyond. Notably, AlphaFold2 has facilitated the determination of larger protein complexes for which only limited experimental data are available. De novo predictions can now be experimentally validated with relative ease compared to the pre‐AlphaFold2 era. In May 2024, AlphaFold3 was launched with high expectations, promising the capability to accurately predict RNA structures and protein‐RNA complexes ‐ features that were absent in AlphaFold2. This review evaluates the extent to which AlphaFold3 fulfills this promise through specific examples. At present, AlphaFold3 falls short in reliably predicting RNA and protein‐RNA complex structures, particularly for non‐canonical interactions where training data remain scarce. As a result, users should exercise caution when using AlphaFold3 predictions as hypotheses generators for RNA and protein‐RNA complex structures. In the interim, integrating AI‐based predictors with data‐driven docking tools is recommended to address these limitations. This approach can help bridge the gap until sufficient training data are available to enable the development of more reliable predictive algorithms.
Three Different Primary Cancers, Including Breast, Esophagus, and Renal in a Single Patient: A Case Report
Authors: Alinejad Khorram Amir , Soleimani Mohammad , Amani‐Beni Ali , Mollasharifi Tahmineh , Amani‐Beni Reza , Allameh Farzad
Published: February 2025

There are different combinations of multiple primary cancers; however, the combination of breast, esophagus, and renal cancer has been reported in a few cases. Given the rising prevalence of multiple primary cancers over the past decade, understanding the risk factors for early detection is crucial.
Tailoring the first coordination shell of isolated Ti(IV) active sites in zeolite frameworks boosting catalytic activity in epoxidation
Authors: Klinyod Sorasak , Yomthong Krissanapat , Suttipat Duangkamon , Pornsetmetakul Peerapol , Kidkhunthod Pinit , Choojun Kittisak , Namuangruk Supawadee , Sooknoi Tawan , Wattanakit Chularat
Published: February 2025

We present a strategy to precisely tune the local structure of the tetrahedrally coordinated titanium (Ti) sites incorporated in the zeolite framework via a one‐pot hydrothermal synthesis with the aid of a growth inhibitor (NH4F) without any further post‐modification step. This approach effectively prevents typical issues observed in post‐synthetic methods, such as Ti leaching and zeolite framework degradation. By optimizing the NH4F concentration, the formation of open Ti(OSi)3OH and Ti(OSi)3F active species can be precisely controlled. To elucidate the relationship between various Ti active species including closed Ti(OSi)4, open Ti(OSi)3OH, and open Ti(OSi)3F sites and their catalytic performance in methyl oleate (MO) epoxidation, we employ ultraviolet‐visible diffuse reflectance spectroscopy (UV‐Vis DRS), fluorine X‐ray absorption near edge structure spectroscopy (F‐XANES) and density functional theory (DFT) calculations. Our findings reveal that increased positive charges on Ti active centers, in the order of closed Ti(OSi)4 < open Ti(OSi)3OH < open Ti(OSi)3F, correlate with enhanced catalytic performance in MO epoxidation. However, an excessive proportion of Ti(OSi)3F species in the framework can diminish catalytic performance by promoting undesired side reactions. Therefore, we propose an optimized balance between open Ti(OSi)3OH and open Ti(OSi)3F species in the zeolite structure to maximize the catalytic activity of epoxidation.
Enhanced Protection of Carbon Steel Against Acid Corrosion: Synergistic Effect of s‐Triazine‐Anilino‐Morpholino‐Pyrazolyl Hybrids Through Electrochemical and Computational Insights
Authors: Shawish Ihab , Hammud Hassan H. , Aljamhi Waleed A. , El‐Lateef Hany M. Abd , Arfan Nur Hazimah B. Z. , Hamid Malai Haniti S. A. , Sheikh Nadeem S. , Alayoubi Samha , Bououdina Mohamed , Barakat Assem , El‐Faham Ayman
Published: February 2025

Corrosion inhibitors extend material lifespan and reduce maintenance costs by forming protective layers on metallic surfaces. Herein, two molecular hybrids: N‐(4‐chlorophenyl)‐4‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐6‐morpholino‐1,3,5‐triazin‐2‐amine (1) and 4‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐N‐(4‐methoxyphenyl)‐6‐morpholino‐1,3,5‐triazin‐2‐amine (2) were prepared and characterized. Corrosion inhibition efficiencies of C‐steel in acid were evaluated using weight loss, impedimetric, and potentiometric techniques, complemented by computational calculations. The inhibition efficiency (%IE) was 96.5 % for inhibitor (1) and 99.2 % for (2) at 100 ppm (0.26 mM). The inhibitors functioned as mixed‐type corrosion inhibitors, effectively protecting the steel surface, as demonstrated by scanning electron microscopy (SEM). Inhibitors (1) and (2) followed Temkin and Langmuir adsorption model respectively. Moreover, density functional theory (DFT) for the neutral and protonated forms in both gaseous and aqueous phases, revealed that derivative (2), incorporating methoxy group, exhibited greater inhibition efficiency on a metal surface compared to derivative (1) incorporating Cl‐(electron‐withdrawing group). This is attributed to the electron‐donating effect of the methoxy group in (2), in consistence with the experimental results. Additionally, MC simulations indicated a higher value of ΔEads/ΔNi associated with the metal adsorbate interaction for derivative (2), and thus more favorable and stable adsorption on the metal surface. This stronger interaction contributed significantly to its superior corrosion inhibition performance compared to derivative (1).
Visualization of Local Strain Distributions in All‐Solid‐State Batteries with Silicon Negative Electrodes Using Digital Image Correlation for Operando/In situ Microscopy Images
Authors: Otoyama Misae , Terasaki Nao , Takeuchi Tomonari , Okumura Toyoki , Kuratani Kentaro
Published: February 2025

Investigating local strain distributions is essential for developing long‐life all‐solid‐state batteries (ASSBs) because capacity fading primarily results from cracks and contact loss caused by volume changes in electrode active materials during battery operation. Digital image correlation (DIC) analysis can be used to create strain distribution maps from continuous images of materials under applied pressure. In this study, DIC analysis of operando confocal microscopy images of an ASSB cross‐section was conducted to elucidate the mechanical degradation mechanism in ASSBs with Si electrodes exhibiting ~300 % volume change. The Si electrode layer exhibited irreversible strain changes, whereas the solid electrolyte (SE) layer exhibited no significant strain changes. Furthermore, DIC analysis was performed using in situ SEM images focused on the Si electrode layer to investigate detailed strain distribution maps for individual Si particles. Higher strain changes were observed in the vertical direction within the SE layer, which led to cracks forming in relatively large Si particles at the beginning of the lithiation process. Visualizing local strain distribution in the electrode layer through DIC analysis of operando/in situ images is a powerful approach for understanding how and where cracks form.
Enhanced Performance of Photocatalytic CO2 Reduction Using Cu@Graphene Nanoparticle‐Decorated Co3O4 Nanoneedles
Authors: Lin Yi‐Xuan , Tsai Dung‐Sheng , Chen Zi‐Yu , Lee Chuan‐Pei
Published: February 2025

A composite photocatalyst comprising cobalt oxide nanoneedles (Co₃O₄‐NDs) modified with multilayer graphene‐wrapped copper nanoparticles (MLG‐CuNPs) was synthesized for efficient photocatalytic CO₂ reduction. The Co₃O₄‐NDs and MLG‐CuNPs were prepared via hydrothermal method and low‐pressure chemical vapor deposition (LPCVD) technique, respectively. The related material characterizations of MLG‐Cu/Co₃O₄‐NDs are well investigated by scanning electron microscopy, high‐resolution transmission electron microscopy, X‐ray diffraction, Raman spectroscopy, and UV–vis spectroscopy. Photocatalytic carbon dioxide (CO2) reduction tests revealed that the carbon monoxide (CO) was identified as the primary product, accompanied by a small amount of methane (CH₄). The photocatalysis performance of MLG‐Cu/Co₃O₄‐NDs exhibited a total yield that was 2.59 and 3.52 times higher than those of MLG‐CuNPs and Co₃O₄‐NDs, respectively. The superior performance of MLG‐Cu/Co₃O₄‐NDs is attributed to the synergistic effects of Co₃O₄‐NDs and MLG‐CuNPs, as well as the LSPR effect of CuNPs. Additionally, the hierarchical heterostructure facilitates efficient electron‐hole pair separation, thereby enhancing overall photocatalytic efficiency. This study highlights the potential of combining metal oxides with conductive materials (i. e., graphene and copper) to develop highly active and stable photocatalysts for sustainable CO₂ conversion.
Comparison of Chemometric Explorative Multi‐Omics Data Analysis Methods Applied to a Mechanistic Pan‐Cancer Cell Model
Authors: Westerhuis J. A. , Heintz‐Buschart A. , Hoefsloot H. C. J. , van der Kloet F. M. , van der Ploeg G. R. , White F. T. G.
Published: February 2025

The analysis of single cell multi‐omics data is a complex task, and many explorative data analysis methods are being used to draw information from such data. This paper compares several of these methods to visualize the output of a mechanistic model under various simulated conditions. The analysis methods include PCA, PARAFAC, ASCA, MASCARA, COVSCA, P‐ESCA, and PE‐ASCA. These techniques, applied to high‐dimensional data such as gene expression and protein levels, assess correlations across time series and experimental conditions. The study uses a complex mechanistic model of MCF10A cancer cells, simulating interactions between signaling pathways related to cell growth and division. Results show that while methods like PCA PARAFAC and ASCA reveal time‐dependent variations in protein data, mRNA data exhibit minimal systematic variation. MASCARA offers unique insights by identifying genes linked to specific pathways. This work highlights the potential and limitations of various data analysis methods in understanding multi‐omics data, particularly in single‐cell contexts where experimental variation and stochastic processes complicate interpretation.
The potential of solid‐state potassium‐ion batteries with polymer‐based electrolytes
Authors: Wang Tianqi , Yu Qiyao , Li Zongyou , Gao Yanjun , Huang Hanjiao , Dong Chunwei , Yang Caizhen , Chong Shaokun , Wang Wei , Zhang Jianguo
Published: February 2025

As a potential substitute for traditional nonaqueous organic electrolytes, polymer‐based solid‐state electrolytes (SSEs) have the advantages of high safety, flexibility, low density, and easy processing. In contrast, they still face challenges, such as low room‐temperature ionic conductivity, narrow electrochemical windows, and poor mechanical strength. To realize the practical application of all‐solid‐state alkali metal ion batteries, there has been a lot of research on modifying the chemical composition or structure of polymer‐based SSEs. In this review, the transport mechanism of alkali metal ions in polymer SSEs is briefly introduced. We systematically summarize the recent strategies to improve polymer‐based SSEs, which have been validated in lithium‐ion batteries and sodium‐ion batteries, including lamellar electrolyte structure, dual salts hybridization, oriented filler alignment, and so on. Then, taking the unique properties of potassium metal and potassium ions into consideration, the feasibility of potassium‐ion batteries for practical use enabled by these novel modification methods is discussed.
Poröse Flüssigkeiten
Authors: Schubert Ulrich
Published: February 2025

Poröse Feststoffe sind allgegenwärtig und haben vielfältige Anwendungen. Die Vorstellung von porösen Flüssigkeiten (PF) ist hingegen kontraintuitiv. Können Flüssigkeiten tatsächlich permanent porös sein? Nicht gemeint sind Gasblasen – das ist keine stabile Porosität–, sondern intrinsische Hohlräume in Flüssigkeiten, die groß genug sind um Gastspezies aufzunehmen.
Analogues of Natural Macarangin B Display Potent Antiviral Activity and Better Metabolic Stability
Authors: Roussi Fanny , Jézéquel Gwenaëlle , Fargier Jules , Bigay Joëlle , Polidori Joël , Geslin Justine , Hue Nathalie , El Kalamouni Chaker , Desrat Sandy
Published: February 2025

The development of innovative antiviral strategies is critical to address the global health threats posed by RNA viruses, including the Zika virus (ZIKV), which can cause severe neurological complications. The lipid transporter Oxysterol Binding Protein (OSBP), essential for cholesterol and phosphatidylinositol 4‐phosphate trafficking, is exploited by many positive‐strand RNA viruses, making it an attractive novel antiviral target. This study investigates simplified analogues of macarangin B, a natural compound with potent OSBP‐targeted antiviral activity against ZIKV, but limited stability due to its flavonol moiety. A series of analogues was synthesized, replacing the flavonol with a flavone core while retaining the essential hexahydroxanthene (HHX) motif. These compounds demonstrated improved stability (t1/2 = 16 hours), high OSBP binding affinity (4 – 69 nM), and low cytotoxicity (> 20 µM). The most active compounds exhibited antiviral activity comparable to established OSBP inhibitors and were stable in physiologic media, highlighting their potential as leads for therapeutic development. This work advances the structure‐activity relationship (SAR) understanding of macarangin B analogues and provides a foundation for designing effective antivirals targeting in ZIKV infections.
Structure of the Femoral Chordotonal Organ in the Oleander Hawkmoth, Daphnis nerii
Authors: Virdi Simran , Sane Sanjay P.
Published: February 2025

Insect legs serve as crucial organs for locomotion and also act as sensory probes into the environment. They are involved in several complex movements including walking, jumping, prey capture, manipulation of objects, and self‐grooming. These behaviors require continuous modulation of motor output through mechanosensory feedback, which is provided by numerous mechanosensors located on the cuticle and within the soft tissue. A key mechanosensory organ in the insect leg, the femoral chordotonal organ (FeCO), detects movements of the femoro‐tibial joint. This organ is multifunctional and senses both self‐generated movements (proprioception) and external stimuli (exteroception). Movements of the tibia alter the length of FeCO, which activates the embedded mechanosensory neurons. Due to the mechanical nature of these stimuli, the structure and material properties of the FeCO are crucial for their function, alongside the encoding properties of FeCO neurons. Here, as a first step toward understanding how its structure modulates its function, we characterized the morphology and anatomy of FeCO in the hawkmoth Daphnis nerii. Using a combination of computed micro‐tomography, neuronal dye fills, and confocal microscopy, we describe the structure of FeCO and the location, composition, and central projections of FeCO neurons. FeCO is located in the proximal half of the femur and is composed of the ventral (vFeCO) and dorsal scoloparia (dFeCO), which vary vastly in their sizes and in the number of neurons they house. Moreover, the characteristic accessory structures of chordotonal organs, the scolopales, significantly differ in their sizes when compared between the two scoloparia. FeCO neurons project to the central nervous system and terminate in the respective hemiganglia. Using these morphological data, we propose a mechanical model of FeCO, which can help us understand several FeCO properties relating to its physiological function.
UV‐Polymerized Zincophilic Ion‐Enhanced Interfacial Layer With High Ion Transference Number for Ultrastable Zn Metal Anodes
Authors: Zhao Ruhan , Feng Ziyu , Kuang Rongqian , Li Zhijian , Lu Ke , Zhang Hong , Lu Songtao
Published: February 2025

Aqueous zinc‐ion batteries (AZIBs) are considered one of the most viable options for large‐scale energy storage applications due to their high theoretical capacity and abundant reserves. However, issues such as dendritic growth and water‐induced corrosion reaction of the zinc anode have hindered their commercialization. To address these challenges, in situ generated multifunctional poly(caffeic acid) (PCA) interface with confined Cu sites and abundant oxygen‐containing groups was constructed on the surface of the zinc metal anode via ultraviolet (UV) treatment. The smooth and compact PCA effectively prevents the zinc anode from corrosion by active water in the electrolyte, while the synergies of zincophilic groups and the confined copper sites constitute 3D ion channels of PCA skeleton accelerates the migration of Zn2+ and enhance deposition kinetics, thus lowering Zn2+ desolvation energy. The symmetric cells using the PCA‐modified Zn anode demonstrated stable cycling for over 2500 h and 2200 h at current densities of 1.0 and 5.0 mA cm−2, respectively, much better than controls. Additionally, the assembled PCA@Zn//I2 full cell enabled continuous cycling over 1000 cycles at a current density of 1.0 A g−1 and presented reliable operation over 100 cycles in a pouch cell configuration.