bluuebunny/crossref_metadata_2025 huggingface dataset:
Early functional and structural hippocampal impairment in a bilateral common carotid artery stenosis mouse model
Authors: Tang Ping , Sun Yi , Yang Chunsheng , Zhang Nan
Published: January 2025

Background

Subcortical ischemic vascular dementia (SIVD) is a common subtype of vascular dementia. Currently, the bilateral common carotid artery stenosis (BCAS) mouse model is the most suitable SIVD rodent model. In this study, we investigated the functional and structural impairments in the hippocampus 1 month after BCAS.

Methods

We used behavioral tests, laser speckle flowmetry, long‐term potentiation, histochemical staining, molecular experiments, and voxel‐based morphometry to evaluate the hippocampal impairments.

Results

Behavioral studies revealed that BCAS mice exhibited worse performance. Laser speckle flowmetry detected an obvious decrease in cerebral blood flow. The synaptic plasticity of the perforant path‐dentate gyrus pathway was inhibited. Decreased fractional anisotropy and increased mean diffusivity were detected in the hippocampus via diffusion tensor imaging data. A reduction in gray matter volume, which was most prominent in the hippocampus and its surrounding areas, was detected via voxel‐based morphometry analysis. Impairments in cell morphology and myelin integrity were validated using histochemical staining and molecular biology techniques. In addition, the numbers of GFAP+ astrocytes and Iba1+ microglia increased in the hippocampus.

Conclusions

Overall, our study demonstrates early functional and structural impairments in the hippocampus contributing to learning and memory deficits after 1 month of BCAS, indicating that the hippocampus is vulnerable to chronic cerebral ischemia.
Coordination Self‐Assembly Induced Hot Exciton Fluorescence and Multi‐Source Excitation Long Afterglow
Authors: Wang Zhong‐Hao , Liu Chen‐Hui , Sun Hui‐Li , Zheng Lin , Pan Mei
Published: January 2025

Metal‐organic complexes with long afterglow luminescence have attracted extensive attention due to potential applications in display, sensing and information security. However, most of the metal‐organic complex long afterglow materials reported so far are limited to the use of UV light as the excitation source, and the ambiguity of the structure‐activity relationship makes the development of metal‐organic complexes extremely limited. Herein, a series of metal‐organic complexes with ultralong emission lifetime is constructed by coordination assembly of Zn(II) with three isomers. These complexes can emit afterglow when excited by UV light, blue LED, cell phone flashlight or even near‐infrared light (800 nm) under ambient conditions, and the afterglow is also observed at 360 K. More interestingly, the inactivation pathway of the triplet exciton was altered by the strategy of supramolecular self‐assembly, which leads to these complexes having hot exciton fluorescence (HEF) emission that is not present in the ligand. The relationship between structure and optical properties is investigated in detail by experiments and theoretical calculations. This work provides guidance for studying the modulation of optical properties by coordination interactions.
Selective Interface Engineering with Large π‐Conjugated Molecules Enables Durable Zn Anodes
Authors: Zhang Feng , Meng Qiangqiang , Qian Jia‐Wei , Chen Jingwei , Dong Wei‐Xu , Chen Kai , Cui Yang‐Feng , Dou Shi Xue , Chen Li‐Feng
Published: January 2025

Undesirable dendrite growth and side reactions at the electrical double layer (EDL) of Zn/electrolyte interface are critical challenges limiting the performance of aqueous zinc ion batteries. Through density functional theory calculations, we demonstrate that grafting large π‐conjugated molecules (e.g. bilirubin, biliverdin, lumirubin, and hemoglobin) onto Zn surface induces preferential adsorption on non‐(002) facets, leading to interfacial charge redistribution, upshifted Zn d‐band center, and enhanced H+ fixation capability. Among these, bilirubin (BR) is identified as the most effective, preferentially adsorbing onto non‐Zn(002) facets to inhibit hydrogen evolution reaction and promote Zn(002) planar growth during plating. This approach results in average Coulombic efficiency of 99.86 % over 4000 cycles in Zn||BR‐1@Cu cells and prolonged lifespan exceeding 1600 h in BR‐1@Zn||BR‐1@Zn cells at 10 mA cm−2 and 1 mAh cm−2. Even under harsh conditions of 25 mA cm−2 and 10 mAh cm−2, BR‐1@Zn||BR‐1@Zn cell maintains a lifespan of over 400 h. Furthermore, BR‐1@Zn||MnO2 and BR‐1@Zn||NVO full cells achieve 76.4 % and 86.1 % capacity retention after 800 and 1400 cycles at 1.0 A g−1, respectively. This study underscores the importance of grafting large π‐conjugated molecules to allow selective Zn(002) exposure, Zn d‐band center upshift, and EDL structure regulation, paving the way towards durable Zn anodes.
A Smartphone‐Integrated Coated Microneedle Sensor for In‐Situ Extraction and Rapid Detection of Total Phenols in Fruits and Vegetables
Authors: Li Rui , Liu Shiyu , Chen Long , Huang Chao , Jia Xin
Published: January 2025

As interest in monitoring the nutritional and antioxidant levels in fruits and vegetables grows, the need for efficient, non‐invasive detection methods increases. In this work, a novel coated microneedle colorimetric sensing platform is designed to rapidly and sensitively detect total phenolic compounds (TPC) in fruits and vegetables, which is the key indicator of their nutritional and antioxidant properties. The platform utilizes a swollen microneedle structure to efficiently collect juice samples, enhancing detection efficiency through colorimetric analysis and eliminating the complexity of traditional methods. The microneedles are fabricated from a composite material consisting of 10,12‐pentacosadiynoic acid (PCDA) and methacrylated gelatin (GelMA), with a secondary layer containing α‐cyclodextrin to selectively bind polyphenols, thereby inducing a visible color change for the specific detection of TPC. The colorimetric response is directly correlated with the concentration of TPC, facilitating on‐site analysis. Using phenol as a model molecule, the detection range of the system for phenol is 10‐60 mM, with an LOD of 0.5 mM. Furthermore, a mobile application enables portable detection and analysis, reducing detection time from several hours to just 30 min. This technology offers a promising approach for the rapid, reliable monitoring of phenolic content in fresh produce, with potential applications in food quality control, nutritional analysis, and agricultural monitoring.
Cyclometalated Half‐Sandwich Ruthenium(II) Complexes: Synthesis, Structure, and Catalytic Activity in Imine Synthesis
Authors: Ye Lin‐Wu , Liu Yong , Yao Zi‐Jian
Published: January 2025

Four kinds of cyclometalated half‐sandwich ruthenium(II) complexes 1–4 with air stability were synthesized, which were supported by C,N‐donor Schiff base ligands as raw materials by C‐H activation. These newly synthesized ruthenium(II) complexes were characterized and studied by infrared (IR), ultraviolet (UV), nuclear magnetic resonance (NMR), and other analytical or spectroscopic techniques, and their exact structures of ruthenium(II) complexes were confirmed by single‐crystal X‐ray analysis. Cyclometalated half‐sandwich ruthenium(II) complexes 1–4 exhibited good catalytic activity in catalyzing the oxidative homo‐coupling of primary amines, dehydrogenation of secondary amines, and cross‐coupling reaction of amines with alcohols to synthesize imines, all of which were conducted in an open flask with air as oxidant. There was little effect of different substituents on ruthenium complexes ligands on catalytic efficiency. Ruthenium catalysts had the characteristics of mild reaction conditions, strong universality of substrate, good stability, and high catalytic efficiency, which had potential application in industrial production.
Development of natural deep eutectic solvent‐assisted liquid–liquid extraction method for soap removal from biodiesel: Optimization and kinetics
Authors: Abed Khalid M. , Hayyan Adeeb , Hizaddin Hanee F. , Hashim Mohd Ali , Basirun Wan Jefrey , Alanazi Yousef Mohammed , Saleh Jehad , Gupta Bhaskar Sen , M. Salleh M. Zulhaziman
Published: January 2025

The soap content in biodiesel is an important challenge during the production and purification processing of biodiesel. Natural deep eutectic solvents (NADES) have recently attracted considerable interest as an environmentally suitable substitute for traditional solvents in the biodiesel industry. This work investigates the soap removal from the contaminated biodiesel using NADES. Eight choline chloride‐based deep eutectic solvents (DESs) were screened using the conductor‐like screening model for real solvents (COSMO‐RS) to identify the most suitable solvent for soap removal and were validated experimentally. The effect of NADES molar ratio, NADES:biodiesel ratio, mixing speed and extraction time on the extraction efficiency were investigated. COSMO‐RS screening revealed that the malonic acid‐based NADES possess higher soap elimination, and this is compatible with the experimental screening. The higher extraction efficiency of 99.18% was achieved under the optimum conditions of 1:3 of NADES molar ratio, 1:1 DES:biodiesel, 150 rpm and 15 min of extraction time. The soap removal followed the first‐order kinetic equation with a rate constant of 0.183 min−1. This technique offers innovative and environmentally friendly routes for downstream processing of contaminated biodiesel.
Electrooxidation of Ethylene Glycol to Glycolic Acid with Pt‐Ni(OH)2 Catalysts: High Efficiency and Selectivity for PET Plastics Upgrading
Authors: Li Zijian , Wang Shao , Yin Yijun , Qin Rui , Wei Chenyang , Luo Hongxia , Mu Tiancheng
Published: January 2025

The electroconversion of polyethylene terephthalate (PET) into C2 fine chemicals and hydrogen (H2) presents a promising solution for advancing the circular plastics economy. In this study, we report the electrooxidation of ethylene glycol (EG) to glycolic acid (GA) using a Pt−Ni(OH)2 catalyst, achieving a high Faraday efficiency (>90 %) even at high current densities (250 mA cm−2 at 0.8 V vs. RHE). Notably, this catalyst outperforms most existing Pt‐based catalysts in terms of catalytic activity. Experimental analyses reveal that: 1) Ni(OH)2 enhances the adsorption of OH− ions and promotes the rapid generation of *OH active species, which are essential for the efficient oxidation of EG to GA; 2) the oxygenophilic nature of Pt improves EG adsorption, and in synergy with Ni, accelerates the oxidation process. Furthermore, Pt lowers the electrolysis potential, preventing excessive oxidation and ensuring high selectivity for GA. This work offers a promising pathway for the electrooxidation‐based upgrading of PET plastics and provides valuable insights for future research in this area.
Elliptical Silicon Nanowire Covered by the SEI in a 2D Chemo‐Mechanical Simulation
Authors: Schoof Raphael , Köbbing Lukas , Latz Arnulf , Horstmann Birger , Dörfler Willy
Published: January 2025

Understanding the mechanical interplay between silicon anodes and their surrounding solid‐electrolyte interphase (SEI) is essential to improve the next generation of lithium‐ion batteries. We model and simulate a 2D elliptical silicon nanowire with SEI via a thermodynamically consistent chemo‐mechanical continuum ansatz using a higher order finite element method in combination with a variable‐step, variable‐order time integration scheme. Considering a soft viscoplastic SEI for three half cycles, we see at the minor half‐axis the largest stress magnitude at the silicon nanowire surface, leading to a concentration anomaly. This anomaly is caused by the shape of the nanowire itself and not by the SEI. Also for the tangential stress of the SEI, the largest stress magnitudes are at this point, which can lead to SEI fracture. However, for a stiff SEI, the largest stress magnitude inside the nanowire occurs at the major half‐axis, causing a reduced concentration distribution in this area. The largest tangential stress of the SEI is still at the minor half‐axis. In total, we demonstrate the importance of considering the mechanics of the anode and SEI in silicon anode simulations and encourage further numerical and model improvements.
Mechanical Properties of Cycled Single Crystal LiNi0.8Mn0.1Co0.1O2 (NMC811) Particles
Authors: Jangde Ashutosh , Kumar Mirtunjay , Tuğrul Gülenç İdris , Wheatcroft Laura , Inkson Beverley J.
Published: January 2025

Single crystal (SC) particle morphologies are attracting significant attention as an alternative to polycrystalline (PC) secondary particles within battery cathodes, to circumvent the degradation paths associated with weak grain boundaries. In the pristine state, the key cathode material LiNi0.8Mn0.1Co0.1O2 (NMC811) exhibits anisotropic mechanical behaviour due to its trigonal
crystal lattice. Here the mechanical properties of cycled SC NMC811 particles are evaluated in real time using in situ compression in a scanning electron microscope (SEM), as a function of both particle orientation, and electrochemical charge‐discharge rate. After 100 cycles, the SC NMC811 particles retain their external morphology, however their non‐basal and basal plane fracture strengths systematically decrease as a function of increasing charge rate C/10→2 C, consistent with accelerated lattice degradation. For all charge rates, the cycled and discharged NMC811 single crystal particles retain the
crystallographic dependence of their strength and deformation mechanisms, with cycled SC particles strongest for compression normal to the (0001) layered structure. The accelerated mechanical softening of cycled NMC811 SC particles at higher C‐rates occurs in parallel with degradation of the electrochemical performance of the NMC811 single crystals, and indicates a higher risk of fracture‐related degradation processes with fast‐charging regimes.
Discovery of Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors through Rational Design of Novel Fluorinated 1,3,4‐oxadiazole Amide Derivatives: An In‐Silico Study
Authors: Jiang Huiying , Xia Heping , Wang Zhonghua , Xiong Fei
Published: January 2025

As severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) variants continue to emerge, there is an urgent need to develop more effective antiviral drugs capable of combating the COVID‐19 pandemic. The main protease (Mpro) of SARS‐CoV‐2 is an evolutionarily conserved drug discovery target. The present study mainly focused on chemoinformatics computational methods to investigate the efficacy of our newly designed trifluoromethyl‐1,3,4‐oxadiazole amide derivatives as SARS‐CoV‐2 Mpro inhibitors. Drug‐likeness absorption, distribution, metabolism, excretion, and toxicity analysis, molecular docking simulation, density functional theory (DFT), and molecular dynamics simulation methods were included. A comprehensive drug‐likeness analysis was performed on the 14 newly designed compounds (1a–1n), and this series of small molecule inhibitors showed potential anti‐SARS‐CoV‐2 activity. In order to reveal the mechanism of drug interaction, these novel compounds were classified by structure, and molecular docking simulations were performed. The results showed good interactions and identified the key amino acid residue GLY‐143. Further DFT analysis using B3LYP‐D3BJ functional and 6‐311 + + G (d, p) basis set was performed to optimize the optimal configuration of the Mpro inhibitors, and the infrared spectrum of the vibration frequency was analyzed to clearly understand the structure and stability of the drug. The electrostatic potential map was analyzed to predict the reactivity of functional groups and protein‐substrate interactions. The frontier molecular orbital analysis and density of states map showed the reactivity level and stability of the drug itself, among which 1i had the smallest energy gap difference (ΔEgap = 3.64 ev), showing good reactivity. The analysis of global reactivity descriptors such as electrophilic index (ω) and chemical potential (μ) also showed that our newly designed Mpro inhibitors had stronger interactions. Molecular dynamics simulation further revealed the stable binding of the Mpro inhibitors in a solvent environment. The binding free energy results calculated by Molecular Mechanics / Poisson Boltzmann Surface Area (MM/PBSA) all exceeded the Food and Drug Administration‐approved standard reference drug (Nirmatrelvir), and the free energy landscape and principal component analysis also further described the energy sites formed during the binding process between the drug molecule and the ligand‐protein and the changes in conformation. These new series of small molecule inhibitors studied in this work will provide the necessary theoretical basis for the synthesis and activity evaluation of novel SARS‐CoV‐2 Mpro inhibitors.
Amphibian‐Derived Peptides as Natural Inhibitors of SARS‐CoV‐2 Main Protease (Mpro): A Combined In Vitro and In Silico Approach
Authors: Spinelli Roque , Sanchis Iván , Rietmann Álvaro , Húmpola María Verónica , Siano Álvaro
Published: January 2025

The COVID‐19 pandemic, caused by the SARS‐CoV‐2 virus, has highlighted the urgent need for novel therapeutic agents targeting viral enzymes such as the main protease (Mpro), which plays a crucial role in viral replication. In this study, we investigate the inhibitory potential of 23 peptides isolated from the skin of amphibians belonging to the Hylidae and Leptodactylidae families against SARS‐CoV‐2 Mpro. Five peptides demonstrated significant inhibition using a colorimetric Mpro inhibition assay, with IC50 values ranging from 41 to 203 µM. Among these, peptides Hp‐1081 and Hp‐1971, derived from Boana pulchella, exhibited the strongest activity, comparable to the natural Mpro inhibitor quercetin. The binding mechanism of the most potent peptide, Hp‐1081, was further investigated through docking and molecular dynamics (MDs) simulations and energetic analysis, which revealed key Mpro residues involved in the binding process. Moreover, because SARS‐CoV‐2 infection can induce ROS overproduction, the antioxidant activity of Hp‐1081 was assessed, reaching 48% of DPPH radical scavenging activity at 100 µM. The most potent peptides also showed no toxicity against human erythrocytes and Artemia salina. This study provides insight into the antiviral potential of amphibian‐derived peptides and highlights their applicability as natural templates for drug development targeting coronaviruses.
Review on the o‐Aminoaniline Moiety in Peptide and Protein Chemistry
Authors: Hong Ziyong Z.
Published: January 2025

Peptides and proteins are important functional biomolecules both inside and outside of living organisms. The ability to prepare various types of functionalized peptides and proteins is essential for understanding fundamental biological processes, such as protein folding and post‐translational modifications (PTMs), and for developing new therapeutics for many diseases, such as cancers and neurodegenerative diseases. The o‐aminoaniline moiety was first proposed for activation to a thioester precursor and used for native chemical ligation to prepare large peptides and proteins. In the past decade, the function of o‐aminoaniline has been greatly expanded to facilitate the preparation of homogeneously modified peptide and protein samples, where the modifications can include cyclization, C‐terminus diversification, etc. Many o‐aminoaniline derivatives have also been developed to overcome the inherent limitations of previous versions. In this review, we attempt to summarize the recent developments of different o‐aminoaniline derivatives, focusing on their application to the preparation of functional peptide and protein molecules.
Reactions of Tertiary Aliphatic Cations with Silylated Alkynes: Substitution, Cyclization and Unexpected C−H Activation Products
Authors: Charki Paul , Cordier Marie , Ylijoki Kai E. O. , Müller Daniel S.
Published: January 2025

Capozzi's groundbreaking work in 1982 introduced a fascinating reaction involving highly reactive tertiary aliphatic cations and silylated alkynes. This reaction provided an innovative solution to the challenge of coupling a fully substituted tertiary aliphatic fragment with an alkyne moiety. Building upon Capozzi's pioneering efforts, we started an extensive exploration of reaction conditions to expand the initial scope of this reaction. Through meticulous control of the reaction parameters, we uncovered conditions capable of accommodating various functional groups, thereby enhancing the reaction‘s applicability. Intriguingly, our study revealed remarkably high diastereoselectivities for substrates with substitution in the α‐position. Additionally, we made an unexpected discovery: an intriguing C−H activation of a cyclooctane ring furnishing a cyclooctane‐fused cyclobutene. These findings not only extend the utility of Capozzi's original concept but also underscore the potential of highly reactive cations in modern organic C−H activation reactions.
Enhanced K‐Storage Kinetics for N‐Doped Carbon via Controllable Dedoping Strategy
Authors: Zhang Wanying , Chen Hong , Pang Yinshuang , Chen Ningning , Liu Zhi , Xia Haobo , Chen Ran , Zheng Jing , Lin Zixia , Lai Qingxue
Published: January 2025

As a potential alternative to next‐generation LIBs, carbonaceous materials have garnered significant attention as anode materials for potassium‐ion batteries due to their low cost and environmental friendliness. However, carbonaceous materials cannot fulfill the demand of anode for PIBs, due to volume expansion and poor stability during charging/discharging process. It is well‐known that N doping can provide active sites for K‐storage, and expand the layer distance between graphite layers. Therefore, a simple one‐step pyrolysis strategy was proposed to synthesize different nitrogen‐doped carbon to investigate the effects of N‐doping and dedoping on K‐storage performance. Through the synergistic effect of N‐doping and the carbon vacancy defects formed during the de‐doping process, alleviating volume expansion and promoted K+ transport rate. As a result, the PNC demonstrate excellent electrochemical performance, showing good long‐term cycling stability (with a capacity of 195 mAh/g after 300 cycles at a current density of 200 mA/g) and outstanding rate performance. These findings provide valuable insights for the design and development of advanced anode materials with efficient potassium ion storage capabilities.
Recent Progress of Mechanofluorochromism and Mechanoluminescence for Phenothiazine Derivatives and Analogues
Authors: Zhao He , Fan Baiyang , Hu Siwen , Liu Xing liang , Xue Pengchong
Published: January 2025

Mechanofluorochromism (MFC) and mechanoluminescence (ML) materials have garnered significant attention from researchers due to their potential applications in anti‐counterfeiting, optical recording, photodynamic therapy, bioimaging, stress sensing, display technology, and ink‐free printing paper. Among the various building blocks utilized in these materials, phenothiazine (PTZ) has emerged as a widely employed fundamental component owing to its distinctive electronic and optical properties as well as its facile modification capabilities. Summarizing the recent progress of PTZ derivatives and analogues in this field holds practical significance. In this review article, we classify over one hundred compounds into a few classes based on the positions of substituents and provide detailed descriptions of their contributions to MFC and ML research respectively. This comprehensive review aims to offer theoretical insights and practical examples for researchers engaged in designing and developing new phenothiazine functional materials while serving as a bridge for further exploration of MFC or ML studies.
Fluorinated Macrocycle for Adsorptive Separation and Chromatographic Separation of Toluene and Methylcyclohexane
Authors: Wang Bin , Li Zhao‐Xian , Wu Hai‐Ning , Ning Zi‐Yue , Ju Peng‐Fei , Liu Yue , Zhang Zhi‐Yuan , Li Chunju
Published: January 2025

Achieving the adsorptive separation and chromatographic separation of industrially the important chemicals toluene and methylcyclohexane using the same material is a highly desirable goal. We have successfully accomplished this using a fluorinated macrocycle tetrafluoroterphen[3]arene (4FTP3), which was synthesized and used for gas chromatographic separation in our previous work. The macrocycle 4FTP3 permitted the adsorptive separation of toluene from a toluene/methylcyclohexane mixture (1 : 1, v/v) with a purity of 99.3 % in a single adsorption cycle. Additionally, the use of 4FTP3 as a gas chromatographic stationary phase permitted the high‐resolution separation of a toluene/methylcyclohexane mixture, with a retention capacity decreasing in the order of: toluene>methylcyclohexane. Single‐crystal structural analysis revealed that the C−H⋅⋅⋅F interactions between 4FTP3 and toluene resulted in an enhanced binding affinity, association enthalpy, and longer retention time for toluene. This macrocycle is of particular interest for use as a separation material due to its simultaneous adsorptive separation and gas chromatographic separation of toluene/methylcyclohexane. The present fluorinated macrocycle may therefore have roles to play in both analytical science and the chemical industry.
Deep Learning‐Based Hydrological Drought Prediction in the Wardha River Basin, India
Authors: Janardhana Mangala , Kikon Ayilobeni
Published: January 2025

Drought is an abnormal condition characterized by dry weather which can continue for days, months, and years. Drought often has major effects on the ecosystems and agriculture of vulnerable regions leading to catastrophe on the local economies. Deep learning was employed in this study to forecast hydrological drought in the Wardha River basin in Maharashtra, Vidarbha region, India. Monthly streamflow data from 1971 to 2020 for the Wardha River serve as the basis for analysis. The study calculates the standardized streamflow index (SSI) at several timescales (3, 6, 9, 12, and 24 months). Deep learning models, specifically the long short‐term memory (LSTM) model and the multilayer perceptron (MLP) model, are employed for drought prediction within the study region. The models are trained with data spanning from 1971 to 2005 and tested against data from 2006 to 2020. Predictions are made for lead time scales of 6 and 12 months by considering lagged SSI values. Drought event lead time scale forecasts will serve as an early warning strategy. The 6‐ and 12‐month lead times of the SSI forecast could be used as a warning for anticipated drought conditions. The study assesses model efficiency by comparing the root mean square error (RMSE) and mean absolute error (MAE) between the LSTM and MLP models. The results indicate that the LSTM model performs better for higher time scales in predicting hydrological drought, whereas the MLP model demonstrates superior predictive capabilities for lower time scales of drought index.
National Horizon Scanning for Future Crops Under a Changing UK Climate
Authors: Redhead John W. , Brown Matt , Price Jeff , Robinson Emma , Nicholls Robert J. , Warren Rachel , Pywell Richard F.
Published: January 2025

Most national assessments of climate change‐related risks to agriculture focus on the productivity of existing crops. However, one adaptation option is to switch to alternative crops better suited to changing local climates. Spatially explicit projections of relative climatic suitability across a wide range of crops can identify which ones might be viable alternatives. Parametrising process‐based models for multiple crops is complex, so there is value in using simpler approaches to ‘horizon scan’ to identify high‐level issues and target further research. We present a horizon scan approach based on EcoCrop data, producing mapped changes in suitability under +2°C and +4°C warming scenarios (above pre‐industrial), for over 160 crops across the United Kingdom. For the United Kingdom, climate change is likely to bring opportunities to diversify cropping systems. Many current and potential new crops show widespread increases in suitability under a +2°C warming scenario. However, under a +4°C scenario, several current crops (e.g. onions, strawberries, oats, wheat) begin to show declines in suitability in the region of the United Kingdom where most arable crops are currently grown. Whilst some new crops with increasing suitability may offer viable alternatives (e.g. soy, chickpea, grapes), the greatest average increases in suitability across crops occur outside the UK's current areas of greatest agricultural production. Realising these opportunities would thus be likely to require substantial changes to current farming systems and supply chains. By highlighting these opportunities and challenges, our approach provides potentially valuable information to farmers and national assessments.
Machine Learning‐Driven Discovery of Structurally Related Natural Products as Activators of the Cardiac Calcium Pump SERCA2a
Authors: Cruz‐Cortés Carlos , Fernández‐de Gortari Eli , Aguayo‐Ortiz Rodrigo , Šeflová Jaroslava , Ard Adam , Clasby Martin , Anumonwo Justus , Michel Espinoza‐Fonseca L.
Published: January 2025

A key molecular dysfunction in heart failure is the reduced activity of the cardiac sarcoplasmic reticulum Ca2+‐ATPase (SERCA2a) in cardiac muscle cells. Reactivating SERCA2a improves cardiac function in heart failure models, making it a validated target and an attractive therapeutic approach for heart failure therapy. However, finding small‐molecule SERCA2a activators is challenging. In this study, we used a machine learning‐based virtual screening to identify SERCA2a activators among 57,423 natural products. The machine learning model identified ten structurally related natural products from Zingiber officinale, Aframomum melegueta, Alpinia officinarum, Alpinia oxyphylla, and Capsicum (chili peppers) as SERCA2a activators. Initial ATPase assays showed seven of these activate SERCA at low micromolar concentrations. Notably, two natural products, Yakuchinone A and Alpinoid D displayed robust concentration‐dependent responses in primary ATPase activity assays, efficient lipid bilayer binding and permeation in atomistic simulations, and enhanced intracellular Ca2+ transport in adult mouse cardiac cells. While these natural products exert off‐target effects on Ca2+ signaling, these compounds offer promising avenues for the design and optimization of lead compounds. In conclusion, this study increases the array of calcium pump effectors and provides new scaffolds for the development of novel SERCA2a activators as new therapies for heart failure.
A phase 2 basket study of talabostat, a small‐molecule inhibitor of dipeptidyl peptidases, administered in combination with pembrolizumab in patients with advanced solid cancers
Authors: Ahmed Jibran , Janku Filip , Karp Daniel D. , Piha‐Paul Sarina A. , Tsimberidou Apostolia M. , Yap Timothy Anthony , Stephen Bettzy , Yang Yali , Gurses Serdar , Liu Qian , Song Juhee , Meric‐Bernstam Funda , Naing Aung
Published: January 2025

Background

Talabostat, an oral small molecule inhibitor of dipeptidyl peptidases (DPP4 and DPP8/9), has shown synergistic activity with immune checkpoint inhibitors in preclinical studies. This open label, phase 2 basket trial assessed the antitumor activity of combining talabostat and pembrolizumab (anti–programmed death‐1 antibody) in advanced solid tumor patients.

Methods

The primary objective was assessment of dose‐limiting toxicity (DLT) rates in the first six patients (lead‐in stage) and response rate (efficacy stage; included cohort A [checkpoint inhibitor (ICI) naive] and cohort B [ICI pretreated]) for the study treatment using the Response Evaluation Criteria in Solid Tumors (RECIST) v1.1 and immune RECIST (iRECIST). Efficacy was assessed using a Bayesian optimal phase 2 design.

Results

A total of 31 patients enrolled in this trial (14 in cohort A, 17 in cohort B). The median age was 61 years; 17 (55%) patients were male and 21 (68%) patients were White. Among 19 (61%) patients evaluable for response, the best response was stable disease in nine patients, unconfirmed progressive disease in seven patients, and clinical progressive disease in three patients based on iRECIST. Disease control rate was 47%. One patient with programmed death‐ligand 1 negative, microsatellite stable endometrial cancer had unconfirmed partial response. Median progression‐free survival was 2.7 months; median overall survival was 20.5 months. One patient (cohort A) experienced a grade 4 hypotension as a DLT and treatment discontinuation. The most common toxicities were hypotension (22.6%), fatigue (9.7%), diarrhea, rash, thrombocytopenia, vomiting, syncope, general disorders and administration site conditions‐other, and skin and subcutaneous tissue disorders‐other, each in 6.5% of patients.

Conclusions

This study of the combination of talabostat and pembrolizumab in patients with advanced solid tumors demonstrated predictable adverse events and limited activity. The combination was shown to be safe. Efficacy data shows immune stable disease in nine of 19 evaluable patients, and an unconfirmed immune partial response in a patient with endometrial cancer.
Sex Differences in Lung Cancer Characteristics at Diagnosis: A Nationwide Register‐Based Study From the Faroe Islands (2015–2020)
Authors: Lindenskov Annika H. , Potts Halla , Kristiansen Marnar F. , Petersen Maria S. , Strøm Marin
Published: January 2025

Background

Sex differences in lung cancer survival are well‐established, but the gap between Faroese men and women is especially pronounced. Faroese women have some of the highest 1‐ and 5‐year relative survival rates in the Nordic region, while Faroese men have some of the lowest. This study investigates these survival disparities by analyzing demographic, clinical, and temporal factors in Faroese lung cancer patients from 2015 to 2020.

Methods

All lung cancer cases registered in the Faroese Cancer Registry from 2015 to 2020 were included. Data on age, sex, civil status, cancer type, stage, smoking history, comorbidities, and performance status were extracted from electronic patient records. Sex‐based differences were analyzed and overall survival rates were estimated using Kaplan–Meier plots.

Results

Significant sex differences were observed in cancer staging at diagnosis (p = 0.03), with 25.8% of women diagnosed at Stage I compared to 8.8% of men. Gender‐specific patterns also emerged: women hadlonger symptomatic periods, while men experienced longer diagnostic and treatment times, though with overlapping confidence intervals.

Conclusions

Our findings reveal significant sex disparities in lung cancer staging at diagnosis in the Faroe Islands, which may the survival differences. The longer diagnostic period in men likely contributes to their lower survival rates. These results highlight the need for targeted interventions to reduce these disparities and improve patient outcomes.
Recurrent Thymic Carcinoma Treated With Median Sternotomy, Innominate Vein Replacement for Superior Vena Cava, and Iodide Implantation: A Case Report and Review of the Literature
Authors: Chen Zhong‐zheng , Qu Wen‐dong , Zhang Xing‐shu , Song Yong‐xiang
Published: January 2025

Background

Neuroendocrine tumors of the thymus (NETT) are rare and malignant tumors that arise in the anterior mediastinum. These tumors can exhibit aggressive behavior and may involve surrounding critical structures, such as the superior vena cava. This case contributes to the literature by presenting a recurrent thymic carcinoma with invasion of major blood vessels, including the superior vena cava, and the complexities involved in its surgical management.

Case

A 51‐year‐old male with no significant medical history presented with eyelid edema and a mediastinal mass. Diagnostic imaging, including positron emission tomography/computed tomography (PET/CT), revealed a malignant anterior mediastinal mass with possible metastasis. The patient underwent thoracoscopic resection of the tumor and wedge resection of the left upper lobe of the lung. Postoperative pathology confirmed a neuroendocrine carcinoma (G3), staged as Masaoka IVa. Despite aggressive surgery, the patient developed recurrent metastasis involving mediastinal lymph nodes and the superior vena cava. The patient underwent complex surgery involving vascular replacement, pericardial resection, and superior vena cava reconstruction, followed by adjuvant chemotherapy, radiotherapy, and immunotherapy.

Conclusion

This case highlights the challenges of managing advanced NETT, particularly with invasion of major vascular structures. It emphasizes the importance of early diagnosis, complete surgical resection, and tailored adjuvant therapies, including chemotherapy, radiotherapy, and immunotherapy, to improve survival outcomes. The lessons learned from this case contribute to refining treatment strategies for similar cases, advocating for aggressive surgical approaches and the potential benefit of novel therapeutic agents in the management of advanced NETT.
The Critical Role of Retailers in Leveraging Sustainability of a Global Supply Chain
Authors: Wright Dale R. , Bekessy Sarah A. , Gordon Ascelin , Bennett Ruth E. , Rodewald Amanda D. , Garrard Georgia E. , Lentini Pia E. , Selinske Matthew J.
Published: January 2025

Shade‐grown coffee farming supports biodiversity and generates additional sustainability outcomes, though the drivers of this approach are poorly understood. Previous research on coffee sustainability has focused on producers or consumers, potentially overlooking the role of retailers in commodity supply chains. We conducted semi‐structured interviews with 19 coffee traders, roasters and retailers in Melbourne, Australia to understand their coffee purchasing decisions, sustainability initiatives and their underlying motivations. Our findings indicate that retailers occupy a critical point in a supply chain from which to leverage sustainability transformations: they can support sustainable approaches at origin, in partnership with farmers and other actors, whilst also undertaking initiatives at the consumer end of the supply chain, thereby exerting bidirectional influence in supply chains. Place‐based environmental initiatives were especially likely to be implemented by large multinational traders and independent roasters operating with purpose‐driven business models that aim to deliver positive environmental, social and economic outcomes for all stakeholders. Behaviour change interventions should target retailers in global supply chains to support sustainability outcomes.
Mapping the Literature Trends of Corporate Social Responsibility and Cost of Capital: A Systematic Literature Review
Authors: AL‐Akheli Aseer , Tan HongTao , A. Hazaea Saddam , ELfarra Barakat , Al‐Zubairi Ammar
Published: January 2025

Corporate social responsibility (CSR) has emerged as a strategic framework for enhancing corporate reputation, mitigating financial risks and improving access to capital. However, empirical evidence on its financial implications remains inconsistent, highlighting notable gaps in understanding the relationship between CSR practices and the cost of capital (COC). This systematic literature review (SLR) analyses 104 Scopus‐indexed studies published between 2010 and 2023 to examine this relationship. The findings suggest that CSR initiatives contribute to improved financial performance, enhance firm reputation, and reduce capital costs. Proactive CSR strategies not only align with ethical imperatives but also deliver long‐term value by fostering stakeholder confidence and mitigating financing risks. The review emphasises the critical role of CSR, particularly in environmental compliance, as an integral component of financial strategy and risk management. It provides evidence that CSR initiatives enhance investment efficiency and lower financing costs, offering a refined perspective on their financial significance. Moreover, it paves the way for future research on global reporting standards and evaluation methods. These insights are highly relevant to policymakers, regulators, investors, creditors, and practitioners aiming to integrate sustainability with economic goals while reducing the COC.
Nature of Solvent/Nonsolvent Strategy in Achieving Superior Polybenzimidazole Membrane for Vanadium Redox Flow Battery
Authors: Su Yuke , Liu Suqin , Zhu Weiwei , Huang Kui , Mu Guangyuan , Jiang Peng , Liu Jianhui , Yang Guang , He Zhen , Wang Jue
Published: January 2025

The tightly connected structure of polybenzimidazole (PBI) membrane can be relaxed by solvent/nonsolvent solution to achieve a high proton conductivity for vanadium redox flow battery (VRFB). However, the nature behind the solvent/nonsolvent strategy is not unraveled. This work proposes a guideline to analyze the effect of PBI membrane relaxing formulas based on the interactions between different components in membranes. The supreme‐efficient PBI membrane derived by the DMSO/formamide formula according to the guideline displays a marvelous performance for VRFB, with the proton conductivity boosted by 4300 % (from 1.93 to 83.33 mS cm−1), and VRFB assembled with this membrane achieves an outstanding energy efficiency of 82.5 % under 200 mA cm−2. Moreover, this work profoundly unravels the structure, property and performance relationship of PBI membrane, which is of great value for the development of membranes.
2D/3D Heterojunction Engineering for Hole Transport Layer‐Free Carbon‐Based Perovskite Solar Cells
Authors: Li Lingcong , Lai Yinlong , Rao Huashang , Cai Weizi , Zhong Xinhua , Guo Huishi , Pan Zhenxiao
Published: January 2025

Hole transport layer (HTL)‐free carbon‐based perovskite solar cells (C‐PSCs) own outstanding potential for commercial applications due to their attractive advantages of low cost and superior stability. However, the abundant defects and mismatched energy levels at the interface of the perovskite/carbon electrode severely limit the device efficiency and stability. Constructing a 2D layer on the surface of 3D perovskite films to form 2D/3D heterojunctions has been demonstrated to be an effective method of passivating surface defects and optimizing the energy level alignment in almost all kinds of PSCs. Due to the unique structure of HTL‐free C‐PSCs, 2D/3D heterojunctions play especially important roles. This review article summarizes the reports of 2D/3D perovskite heterojunctions in HTL‐free C‐PSCs. It describes the contributions of 2D/3D heterojunctions in terms of their roles in defect passivation, energy level optimization, and stability improvement. Finally, challenges and prospects of 2D/3D heterojunction for further development of HTL‐free C‐PSCs are highlighted.
Size‐Dependency of Electrochemically Grown Copper Nanoclusters Derived from Single Copper Atoms for the CO Reduction Reaction
Authors: Ohashi Keitaro , Nishimura Kosei , Nagita Kaito , Hashimoto Takuya , Nakahata Shoko , Harada Takashi , Ina Toshiaki , Nakanishi Shuji , Kamiya Kazuhide
Published: January 2025

Electrochemically grown copper nanoclusters (CuNCs: <3 nm) from single‐atom catalysts have recently attracted intensive attention as electrocatalysts for CO2 and CO reduction reaction (CO2RR/CORR) because they exhibit distinct product selectivity compared with conventional Cu nanoparticles (typically larger than 10nm). Herein, we conducted a detailed investigation into the size dependence of CuNCs on selectivity for multicarbon (C2+) production in CORR. These nanoclusters were electrochemically grown from single Cu atoms dispersed on covalent triazine frameworks (Cu‐CTFs). Operando X‐ray absorption fine structure analysis revealed that Cu‐CTFs containing 1.21 wt % and 0.41 wt % Cu (Cu(h)‐CTFs and Cu(l)‐CTFs, respectively) formed CuNCs of 2.0 and 1.1 nm, respectively, at −1.0 V vs. RHE. The selectivity for CORR products was particularly dependent on the size of CuNCs, with the Faraday efficiencies of C2+ products being 52.3 % and 32.7 % at −1.0 V vs. RHE with Cu(h)‐CTFs and Cu(l)‐CTFs, respectively. Spherical CuNCs modeling revealed that larger cluster sizes led to a greater proportion of a surface coordination number (SCN) of 8 or 9. Density functional calculations revealed that the CO dimerization reaction was more likely to proceed at SCNs of 8 or 9 compared to SCN of 7 because of the stability of the *OCCO intermediate.
Energy Harvesting–Assisted Two‐User Cooperative NOMA With Ambient Backscattering
Authors: Ghosh Priyanka , Dhar Roy Sanjay , Kundu Sumit
Published: January 2025

Recently, ambient backscatter‐based communication is considered as an appealing approach, which enables energy‐constrained nodes to transmit by backscattering ambient signals, and it has the potential of being integrated with RF‐powered NOMA network. In this paper, we analyze the outage performance of a two‐node system that works on ambient backscattered signal. One energy harvesting relay, working in time switching relaying (TSR) mode, which assists the transmission of NOMA signal of two users, acts as a backscatter device (BD) to transmit its information to a closely located IoT node by backscattering the signal received from two users. The IoT node transmits its information to the relay by backscattering the signal while the relay transmits downlink NOMA to two destination users. We evaluate the outage performance of backscattered signal at the relay and IoT node. System outage of the NOMA users and throughput of the backscattered transmission are also derived. The effect of backscattering factor on individual and system outage of NOMA users, outage of BD users, and backscattered throughput is indicated. Further, we show the impact of time switching factor on outage and throughput of backscattered network. Ergodic capacity of backscattered network is also evaluated.
Endocytosis mediated by megalin and cubilin is involved in enamel development
Authors: Wang Aijia , Chen Yangxi , Zhang Xinye , Liu Ming , Liu Shumin , Kozyraki Renata , Chen Zhi
Published: January 2025

Background

Endocytosis of enamel matrix proteins (EMPs) by ameloblasts is a key process in the mineralization of enamel during the maturation stage of amelogenesis. However, the relevant receptor mediating endocytosis of EMPs is still unclear. The aim of this study was to explore potential endocytic receptors involved in this process.

Results

Two endocytic receptors, megalin, and cubilin, were found to be distributed in ameloblasts of mouse incisors and molars during the secretory and maturation stages. Megalin was located at the distal end of ameloblasts during the maturation stage when proteolysis and recycling were the most active. Megalin and cubilin were also expressed in an ameloblast‐lineage cell (ALC) line. The immunoelectron microscopy results showed that megalin was positively labeled on the vesicle structures of ALC, where endocytosis happened. Immunofluorescence showed that megalin and cubilin were colocalized with amelogenin, and the absorption of amelogenin was significantly reduced when megalin and cubilin were inhibited by their inhibitor, receptor‐associated protein (RAP). Knockdown of megalin and cubilin with siRNA also reduced the ability of ALC to absorb amelogenin.

Conclusions

The results of this study suggest that megalin and cubilin are involved in the absorption process of ameloblasts during amelogenesis.