bluuebunny/crossref_metadata_2025 huggingface dataset:
Tofacitinib Citrate Coordination‐Based Dual‐Responsive/Scavenge Nanoplatform Toward Regulate Colonic Inflammatory Microenvironment for Relieving Colitis
Authors: Zou Jiafeng , Jiang Kun , Chen You , Ma Ying , Xia Chuanhe , Ding Wenxing , Yao Min , Lin Yiting , Chen Yanzuo , Zhao Yuzheng , Gao Feng
Published: August 2024

Ulcerative colitis is an inflammation of the colon characterized by immune dysregulation and intestinal inflammation. Developing safe oral nanomedicines that suppress intestinal inflammation, while modulating colonic inflammatory microenvironment by scavenging reactive oxygen species (ROS) and hydrogen sulfide (H2S) is crucial for the effective treatment of colitis. Here, the tofacitinib citrate and copper coordination‐based nanoparticle (TF‐Cu nanoparticle, T‐C) to dual‐scavenge ROS and H2S by coordination competition is synthesized. Moreover, the coordination of T‐C using computer simulation is explored. To enhance the acid stability and inflammatory targeting of T‐C, it is encapsulated with hyaluronic acid‐modified chitosan, along with a calcium pectinate coating (T‐C@HP). Owing to the dual pH/pectinase‐responsive characteristics of T‐C@HP, the nanoplatform can target inflamed colonic lesions, inhibiting phosphorylated Janus kinase 1. Furthermore, T‐C@HP scavenges ROS and H2S, as well as increases NADPH levels, which is investigated by combining biosensor (HyPer7 and iNap1/c) and chemical probes. T‐C@HP also alleviates colitis by regulating the colonic inflammatory microenvironment through multiple processes, including the modulation of apoptosis, macrophage polarization, tight junction, mucus layer, and intestinal flora. Complemented by satisfactory anti‐inflammatory and biosafety results, this nanoplatform represents a promising, effective, and safe treatment option for colitis patients.
Advancing Single‐Particle Analysis in Synthetic Chemical Systems: A Forward‐Looking Discussion
Authors: Zhang Hui , Li Xiaopeng , Liu Jiang , Lan Ya‐Qian , Han Yu
Published: August 2024

Single‐particle analysis (SPA) is a fundamental method of cryo‐electron microscopy developed to resolve the structures of biological macromolecules. This method has seen significant success in structural biology, yet its potential applications in synthetic chemical systems remain underexplored. In this perspective article, SPA and associated electron microscopy techniques are first briefly introduced. It is then proposed that SPA is well‐suited for structural analysis of chemical systems where discrete, identical macromolecules can be readily obtained. Applicable systems include various clusters such as coinage metal clusters, metal‐oxo/sulfur clusters, metal–organic clusters, and supramolecular compounds like coordination cages and metallo‐supramolecular cages. When high‐quality large single crystals are unattainable, SPA provides an alternative method for determining their structures. Beyond these end products, it is suggested that SPA can be instrumental in studying synthetic intermediates of materials with specific building units, such as metal–organic frameworks and zeolites. Given that various intermediates coexist in the reaction system, a purification step is necessary before conducting SPA, which can be facilitated by soft‐landing electrospray ionization mass spectrometry.
Highly Sensitive Glucose Sensors Based on Gated Graphene Microwave Waveguides
Authors: Gubeljak Patrik , Xu Tianhui , Wlodarczyk Jan , Eustace William , Burton Oliver J. , Hofmann Stephan , Malliaras George G. , Lombardo Antonio
Published: August 2024

A novel approach is demonstrated to identify glucose concentration in aqueous solutions based on the combined effect of its frequency‐dependent interaction with microwaves propagating in graphene channels and the modification of graphene radio frequency (RF) conductivity caused by physisorbed molecules. This approach combines broadband microwave sensing and chemical field effect transistor sensing in a single device, leading to information‐rich, multidimensional datasets in the form of scattering parameters. A sensitivity of 7.30 dB(mg/L)−1 is achieved, significantly higher than metallic state‐of‐the‐art RF sensors. Different machine learning methods are applied to the raw, multidimensional datasets to infer concentrations of the analyte, without the need for parasitic effect removals via de‐embedding or circuit modeling, and a classification accuracy of 100% is achieved for aqueous glucose solutions with a concentration variation of 0.09 mgL−1.
Does duckweed (Lemna minor) feed inclusion play a role on growth, feed conversion ratio and reproductive performance (fertilization, hatchability and survivability rates) in omnivorous fish? Evidence in Nile tilapia (Oreochromis niloticus‐Linnaeus, 1758)
Authors: Achoki Judith Kemunto , Kaingu Catherine Kaluwa , Oduma Jemimah Achieng’ , Orina Paul Sagwe , Ondiba Robert Nyakwama , Nyabwanga Robert Nyamao , Getabu Albert Mochache
Published: August 2024

Fish feed production is fraught with high costs due to the inclusion of expensive fishmeal and animal proteins that can be sourced from aquatic macrophytes. Limited attempts have been made on use of the latter for fish feed production. Further, the quality of feed given to fish is known to affect its growth and reproductive performance. Role of feeds containing duckweed (Lemna minor) at 0%‐control feed, 10%, 15%, 20% and 25% inclusion levels on growth and reproductive performance of Oreochromis niloticus of size 18 ± 1 g were evaluated for 12 weeks. The fish were fed twice daily at 10% body weight at 9.00 a.m. and 4.00 p.m. Length–weight measurements were done fortnightly using a measuring board and a weighing balance, respectively. Female mouth‐brooding fish were used to evaluate reproductive performance indicators, namely %: fertilization, hatchability and survivability. Data were subjected to one‐way analysis of variance followed by post hoc and polynomial orthogonal analysis to identify L. minor diets with significant differences (p < 0.05). Fish fed on a diet containing 10% L. minor inclusion showed significantly better growth performance and feed conversion ratio than those fed on the control diet. All L. minor diets gave good fish condition factors above 1.0. Fish fed on a diet containing 10% L. minor and those fed on the control gave reasonably high survival rates of 85.55% and 83.33%, respectively, whereas those fed on 20% L. minor produced the same growth performance as control. Orthogonal polynomial analysis for the final weights across the L. minor diets – 0%–25% – showed a cubic polynomial model (p = 0.000), whereas final lengths portrayed a linear inverse significant relationship (p < 0.05). Inclusion of L. minor in the diets resulted to slightly better fertilization, hatchability and survivability rates at 10%, 20% and 15%, respectively. In conclusion, inclusion of L. minor from 10% to 20% in fish feeds is recommended for enhancing growth and reproductive performance of O. niloticus.
Tailoring O‐Monodentate Adsorption of CO2 Initiates C−N Coupling for Efficient Urea Electrosynthesis with Ultrahigh Carbon Atom Economy
Authors: Zhou Min , Zhang Yan , Li Hu , Li Zhengyi , Wang Su , Lu Xihong , Yang Song
Published: August 2024

The thermodynamically and kinetically sluggish electrocatalytic C−N coupling from CO2 and NO3− is inert to initially take place while typically occurring after CO2 protonation, which severely dwindles urea efficiency and carbon atom economy. Herein, we report a single O‐philic adsorption strategy to facilitate initial C−N coupling of *OCO and subsequent protonation over dual‐metal hetero‐single‐atoms in N2−Fe−(N−B)2−Cu−N2 coordination mode (FeN4/B2CuN2@NC), which greatly inhibits the formation of C‐containing byproducts and facilitates urea electrosynthesis in an unprecedented C‐selectivity of 97.1 % with urea yield of 2072.5 μg h−1 mgcat.−1 and 71.9 % Faradaic efficiency, outperforming state‐of‐the‐art electrodes. The carbon‐directed antibonding interaction with Cu−B is elaborated to benefit single O‐philic adsorption of CO2 rather than conventional C‐end or bridging O,O‐end adsorption modes, which can accelerate the kinetics of initiated C−N coupling and protonation. Theoretical results indicate that the O‐monodentate adsorption pathway benefits the thermodynamics of the C−N coupling of *OCO with *NO2 and the protonation rate‐determining step, which markedly inhibits CO2 direct protonation. This oriented strategy of manipulating reactant adsorption patterns to initiate a specific step is universal to moderate oxophilic transition metals and offers a kinetic‐enhanced path for multiple conversion processes.
Application of a kosmotrope (Na2CO3) and chaotrope (NaCl) in chemometric optimization of aqueous two‐phase extraction of bioactive compounds in Hypoxis iridifolia
Authors: Lukheli Rangani Tracy , Tavengwa Nikita Tawanda , Mokgehle Tebogo Mphatlalala
Published: August 2024

Enterolactone, coumaric acid and vitexin are polyphenolic compounds present in a variety of fruits, vegetables, cereals and plants. These bioactive compounds are in high demand due to their antioxidant property in various tissues and organs. The purpose of this study was to develop a simultaneous extraction method, an aqueous two‐phase extraction (ATPE) method, that would enable the extraction of these compounds from Hypoxis iridifolia. This environmentally friendly extraction method only applied water and ethanol as extraction solvents for these analytes from the plant matrix. After phase separation, the analytes were salted‐out from the aqueous phase into the organic phase with the aid of a chaotrope (NaCl) or kosmotrope (Na2CO3). Thereafter, the analytes were withdrawn by a micro‐pipette for analysis on the high‐performance liquid chromatography–photodiode array detector. Optimization was conducted using a central composite design, where three parameters were examined which involved percentage ethanol, centrifugation time and salt type. Generally, the optimized conditions for extraction were an ethanol percentage of 100% and a centrifugation time of 10 min, which yielded concentrations of 2942, 23,823 and 8881 mg kg−1 for enterolactone, vitexin and coumaric acid, respectively, in the presence of a kosmotrope. The optimized conditions of extraction in the presence of chaotrope were an ethanol percentage of 66% and a centrifugation time of 10 min with concentrations of 6727, 20,833 and 8618 mg kg−1 for enterolactone, vitexin and coumaric acid, respectively. The ATPE method involving Na2CO3 was a better extractant of all the compounds studied relative to that of NaCl. The superior extraction capability of Na2CO3 in ATPE could serve as a prototype for the development of efficient extraction methods to meet the high demand for medicinal compounds derived from natural products.
Fabrication, Preparation, Physicochemical Characterization, and Theoretical Studies of Some Novel Schiff Base Ciprofloxacin Metal Complexes: DNA Interaction and Biomedical Applications
Authors: Alhashmialameer Dalal , Mohamed Gehad G. , Al‐hawamy Yasser , Abdou Aly , Alshehri Hassan A. H. , Alkhatib Fatmah , Abu‐Dief Ahmed M.
Published: August 2024

Novel compounds with pharmacological activity were synthesized from Pd(II), Fe(III), Cr(III), Ni(II), and Cu(II) ions with 1‐cyclopropyl‐6‐fluoro‐4‐(2‐hydroxy‐phenylimino)‐7‐piperazin‐1‐yl‐1,4‐dihydro‐quinoline‐3‐carboxylic acid (CFAP). The ligand's NH and OH groups allowed it to interact with the metals as a neutral tridentate. The investigated novel compounds were described using 1H and 13C NMR spectra, FT‐IR spectrums, TGA and UV–Vis (conductance of molecules), and CHN‐analysis. Additionally, the pH profile of the CFAP complexes indicated great stability, and the complexes' stability constant was discovered in the solution. To extract important properties for CFAP and its complexes, computational research was used, CFAPCu, CFAPCr, CFAPNi, and CFAPFe have octahedral geometry, while CFAPPd has square planar geometry. To investigate the molecular geometry, density functional theory calculations (DFT) were carried out. The molar ratio and continuous fluctuation data confirmed that the (M:L) ratio was (1:1). In vitro tests were conducted to evaluate Schiff base's antimicrobial action ligand and its metal chelates against fungal and bacterial infections. The findings showed that the antimicrobial efficacy is as follows: When CFAPPd is compared to fluconazol and ofloxacin as reference medications, it is the highly inhibitor complex. The novel CFAP ligand and its complexes were investigated for In vitro carcinogenic potential against Hep‐G2, MCF‐7, and HCT‐116 cell lines. As compared to the medication vinblastine, the results once again demonstrated that CFAPPd is the most active agent. Moreover, the complexes demnstrated strong reactivity in capturing free radicals when their antioxidant activity was investigated. Viscosity, spectral investigations, and gel electrophoreses were used to identify the interaction between metal chelates and DNA. Every examined compound is shown to be an enthusiastic DNA binder by viscosity and spectrophotometric titration investigations. The heightened hydrophobic and electrostatic interactions between aromatic rings could be the cause of this. Ultimately, these compounds could be regarded as promising bioactive substances.
MCC950 as a promising candidate for blocking NLRP3 inflammasome activation: A review of preclinical research and future directions
Authors: Zheng Yujia , Zhang Xiaolu , Wang Ziyu , Zhang Ruifeng , Wei Huayuan , Yan Xu , Jiang Xijuan , Yang Lin
Published: August 2024

The NOD‐like receptor thermal protein domain associated protein 3 (NLRP3) inflammasome is a key component of the innate immune system that triggers inflammation and pyroptosis and contributes to the development of several diseases. Therefore, blocking the activation of the NLRP3 inflammasome has therapeutic potential for the treatment of these diseases. MCC950, a selective small molecule inhibitor, has emerged as a promising candidate for blocking NLRP3 inflammasome activation. Ongoing research is focused on elucidating the specific targets of MCC950 as well as assessfing its metabolism and safety profile. This review discusses the diseases that have been studied in relation to MCC950, with a focus on stroke, Alzheimer's disease, liver injury, atherosclerosis, diabetes mellitus, and sepsis, using bibliometric analysis. It then summarizes the potential pharmacological targets of MCC950 and discusses its toxicity. Furthermore, it traces the progression from preclinical to clinical research for the treatment of these diseases. Overall, this review provides a solid foundation for the clinical therapeutic potential of MCC950 and offers insights for future research and therapeutic approaches.
Fabrication of FeCu/CC Composite for Efficient Removal of Nitrate for Aqueous Solution Via Electrochemical Reduction Process
Authors: Li Weiman , Yin Qingbo , Liu Cuicui , Yang Shuqin , Jin Dongyu , Wang Xiuli , Song Laizhou
Published: August 2024

The electrochemical nitrate reduction (ENR) for the conversion of nitrate to nitrogen gas is a significant strategy to remediate the eutrophication in surface water. However, the exploitations and practical applications of suitable electrocatalysts still face great challenges. In this study, FeCu bimetal microparticles were deposited onto surface of carbon cloth (CC) to fabricate the FeCu/CC electrocatalyst for the removal of nitrate. Among obtained catalysts, the sample with Fe/Cu molar ratio of 1 : 15 (Fe1Cu15/CC) exhibits the excellent electroreduction efficiency for nitrate removal (R(NO3−), >90 %) but an ineffective selectivity of N2 formation (S(N2), ~23 %). After the anchor of reduced graphite oxide (rGO) to surface of Fe1Cu15/CC, at the optimized condition without the assistance of chlorine oxidation, R(NO3−) and S(N2) of rGO/Fe1Cu15/CC catalyst reach 94.2 % and 72.8 %. After 5 day endurance test, the values of R(NO3−) and S(N2) are still 82.9 % and 62.8 %, demonstrating the promising durability of this catalyst electrode. Meanwhile, the potential application of rGO/Fe1Cu15/CC was explored for the treatment of simulated wastewater discharged by urban wastewater treatment plant, the concentration of total nitrogen (TN) decreases from 15–1.17 mg/L, and this value is lower than TN threshold limit in Class IV of Chinese surface water quality standard.
Rational Design of Multi‐color Phosphorescent Carbon Dots Based on Binaphthyldiamine with Chiral Signals
Authors: Zhu Kai , Xiao Jiping , Bi Yingying , Nie Mingjun , Ai Lin , Feng Xun , Lu Siyu
Published: August 2024

Comprehensive Summary

Chiral phosphorescent materials have received extensive research owing to the unique properties of optical activity in recent years. Many phosphorescent carbon dots (CDs) materials have been reported, but the research on chiral phosphorescence is still in the exploratory stage. This work designs multi‐color room temperature phosphorescent (RTP) CDs with chiral signals, which are fully mixed with aromatic aldehyde precursors and chiral amino compounds precursors in a boric acid (BA) matrix and can be easily prepared by solvent‐free thermal method. The prepared (R)‐GCDs, (R)‐YCDs and (R)‐RCDs achieved phosphorescence emission at 545 nm, 582 nm, and 654 nm, respectively, and exhibited corresponding circular dichroism (CD) signals at 341 nm, 394 nm, 384 nm, and 380 nm, 448 nm, and 435 nm, respectively. The longest phosphorescence lifetime is up to 946 ms. Specifically, YCDs exhibit time‐dependent phosphorescence under UV excitation, and the afterglow time under white light excitation can reach 40 s. This article provides a new approach to the study of chiral phosphorescence.
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction
Authors: Bhat Muzaffar A. , Ul Islam Shahjahan , Majid Kowsar
Published: August 2024

Finding the best candidates with outstanding electrocatalytic capabilities for the hydrogen evolution reaction is essential for realizing large‐scale hydrogen production through electrolysis. In this study, we synthesized NiCo2Se4 (NCS) and NiTe2 (NT) nanorod arrays using a hydrothermal method. The confirmation of catalyst formation was achieved through X‐ray diffraction analysis, electron microscopy imaging, and X‐ray photoelectron spectroscopy. Leveraging the plentiful heterointerfaces and synergistic effects arising from the incorporation of bimetallic components, the NCS/NT electrocatalyst demonstrates remarkable efficacy in catalyzing the hydrogen evolution reaction. It achieves a minimal overpotential of 163 mV to attain a current density of 50 mA cm−2, showcasing exceptional catalytic activity. Further exploration has revealed that the engineering of heterogeneous interfaces and the morphology of nanorods not only guarantee the exposure of numerous active sites and expedite electron‐mass transfer but also trigger electron modulation. Such modulation serves to fine‐tune the adsorptive and desorptive dynamics of reaction intermediates, culminating in an enhancement of the catalyst's inherent activity. This study illuminates the novel composite electrocatalyst with robust synergy, highlighting the pivotal role of their unique nanostructures in achieving high‐efficiency hydrogen production via electrolysis.
2‐Hydroxybenzaldehyde Azine and γ‐Cyclodextrin Based Colorimetric/Fluorescent Probe for Highly Sensitive and Selective Detection of Cu2+
Authors: Ganesan Vigneshkumar , Govindasamy Chandramohan , Shanmugasundaram Esakkimuthu , Vellaisamy Kannan , Krishnan Nithesh Kumar , Mani Murali Krishnan , Kaliyamoorthy Selvam , Liu Bo‐Tau , Thambusamy Stalin
Published: August 2024

The fluorescent probe provides a simple for detecting Cu2+ through fluorescence quenching of the Schiff‐base probes by Cu2+. However, the azine‐based probes often suffer from poor solubility and dispersibility in water and are easily interfered with by other competing ions, which significantly reduces their applicable potential. In this study, we synthesized a water‐dissoluble and highly fluorescent γ‐Cyclodextrin (γ‐CD)/2‐hydroxybenzaldehyde azine (2‐HBA) inclusion complex for Cu2+ detection. The inclusion of 2‐HBA into γ‐CD enhances its solubility in water and allows it to emit fluorescence. The as‐synthesized γ‐CD/2‐HBA probe exhibits high sensitivity for colorimetric and fluorescent detection of Cu2+, with detection limits reaching 2.72 and 1.53 nM, respectively. The results exceed most of those reported in the literature. The probe's structure and potential mechanism were systematically analysed using the experimental and theoretical methods.
Study on the Plastic Deformation Mechanism of Void‐Containing Twin‐Crystal Magnesium with Symmetric Tilt Grain Boundary Angles
Authors: Li Qin , Yao Junping , Wu Zhichen , Li Buwei , Chen Guoxing , Zhou Lanmin
Published: August 2024

A twin‐crystal magnesium (Mg) model with 9 different symmetric tilt grain boundary (STGB) angles (20°–80°) with preset nanohole defects is established by atomsk and lammps software. The mechanical behavior of grain boundary (GB) angles on twin‐crystal Mg with cavity defects and its cavity evolution are simulated by the molecular dynamics method with embedded atomic potential, and the plastic deformation mechanism is revealed. The results show that the yield stress decreases with the increase of the STGB Angle during the stretching process. When the GB Angle increases from 20° to 80°, the yield stress decreases from 2.28 to 1.42 Gpa. This is because the larger the STGB Angle is, the larger the Schmidt factor is, and the easier it is to start dislocation slip during the stretching process. On the other hand, the larger the Angle of STGB, the more the number of atomic voids at the interface, and the more the number of dislocation nucleation points. The larger the Angle of STGB, the lower the strength of twinning Mg but the better the plasticity to avoid fracture. The plastic deformation mechanism mainly includes the nucleation of Shockley incomplete dislocation at STGBs, dislocation slip generates stacking faults (SFs), GB migration, and base plane dislocations.
The overall sustainability index (OSI): A suitable way to measure the sustainability of electrical industry in Italy
Authors: Carrabba Paola , Padovani Laura Maria , Di Giovanni Barbara
Published: August 2024

The objective of this research is to develop a comprehensive and effective quantitative method to measure the overall sustainability performance of electric companies in Italy. Due to the vast diversity of the sustainability issues, many methods have been developed to measure the sustainability performance of companies, but with results that are, in our opinion, not fully satisfactory, either because they are difficult to apply or because they only cover some of the sustainability aspects. In an attempt to overcome these shortcomings, we have applied a methodology to meet the requirements of our research, on the basis of its high versatility (https://lab24.ilsole24ore.com/qualita-della-vita/). The analysis was carried out on the 12 largest Italian electricity companies, by calculating the overall sustainability index (OSI) for the years 2020 and 2021, taking into account 56 different indicators, chosen from those made available by the Global Reporting Initiative (GRI) for corporate sustainability reporting. For a more comprehensive evaluation of the sustainability performance of the electricity companies, selected indicators were chosen from all the three pillars of sustainability (economic, environmental, social). The OSI results of this research have allowed to highlight the critical points of the corporate reporting systems on sustainability providing valuable indications on the targets achieved and achievable in view of the European Commission's Green Deal 2050. This work also highlighted the strengths and weaknesses of the method.
Skin supersolidity matters the performance and functionality of water droplets
Authors: Sun Chang Q. , Zhou Yong , Fang Hengxin , Wang Biao
Published: August 2024

Even more fascinating than its bulk parent, a water droplet possesses extraordinary catalytic and hydro‐voltaic capability, elastic adaptivity, hydrophobicity, sensitivity, thermal stability, etc., but the underlying mechanism is still elusive. We emphasize herewith that the H‒O bond follows the universal bond order‒length‒strength correlation and nonbonding electron polarization regulation and the hydrogen bond cooperativity and polarizability notion regulates the performance of the coupling hydrogen bond (O:H‒O). Computational and spectrometric evidence consistently shows that molecular undercoordination shortens the intramolecular H‒O bond by up to 10% while lengthening the intermolecular O:H nonbond by 20% cooperatively with an association of electron polarization, making the 0.3‐nm thick droplet skin of a supersolid phase of self‐electrification. The supersolid skin dictates the performance and functionality of the droplet in chemical, dielectric, electrical, mechanical, optical, and thermal properties as well as the transport dynamics of electrons and phonons. The amplification of these findings could deepen our insight into the undercoordinated aqueous systems, including bubbles and molecular clusters, and promote deep engineering of water and ice.
Characterization of the thyroid hormones level in urine by liquid chromatography coupled to mass spectrometry focus in the antidoping field
Authors: Martínez_Brito Dayamin , Leogrande Patrizia , de la Torre Xavier , Romanelli Francesco , Botrè Francesco
Published: August 2024

This paper aims to study the metabolism of thyroid hormones (TH) in urine by liquid chromatography–tandem mass spectrometry (LC‐MS/MS). The method was applied to samples collected before and after the administration of sodium triiodothyronine (T3) and sodium levothyroxine (T4) to a euthyroid volunteer and to samples of athletes declaring and not declaring thyroid supplementation. Samples were analyzed by LC‐MS/MS after enzymatic hydrolysis, liquid–liquid, and solid‐phase extractions. Ratios between T3/thyronine and T4/3,3′‐T2 may be used for the detection of the administration of exogenous T3 in urine. Meanwhile, 3‐T1 concentrations may be used to detect exogenous T4 administration. Nevertheless, these markers may not work properly in hypothyroid population, as athletes seem to be. The levels of T3 and T4 of athletes were lower than those of a euthyroid state even when they are under administration of TH supplements. The HTP axis high efficiency does not allow observing differences between athletes who do not declare and those who declare having used TH supplementation by direct measurements of T3 and T4 in urine. The detection of TH administration in urine (triiodothyronine and levothyroxine) may work when dealing with euthyroid individuals. Nevertheless, in individuals with hypothyroidism where the tendency is toward the maintenance of homeostasis, and it may be not possible to detect their consumption by applying cut‐off values.
Construction of dendritic Pt–Pd bimetallic nanotubular heterostructure for advanced oxygen reduction
Authors: Wang Mingwei , Hu Zhiyi , Lv Jieheng , Yin Zhiwen , Xu Zhewei , Liu Jingfeng , Feng Shihao , Wang Xiaoqian , He Jiazhen , Luo Sicheng , Zhao Dafu , Li Hang , Luo Xuemin , Liu Qi , Liu Damin , Su Baolian , Zhao Dongyuan , Liu Yong
Published: August 2024

Compositions and morphologies of Pt‐based electrocatalysts have great impact on the electrocatalytic activity and stability of oxygen reduction reaction (ORR). Herein, we report a novel design of one‐dimensional (1D) Pt–Pd dendritic nanotubular heterostructures (DTHs) by controlling the degree of Pt2+‐Pt reduction reaction and Pd‐Pt galvanic replacement reaction with uniform Pd nanowires as sacrificial templates. The obtained Pt–Pd bimetallic DTHs catalyst exhibited uniform and dense Pt dendritic nanobranches on the surface of 1D hollow Pt–Pd alloy nanotubes, possessing superior catalytic activity for ORR compared to state‐of‐the‐art commercial Pt/C catalysts. Typically, the Pt4Pd DTHs catalyst showed efficient mass activity (MA, 1.05 A mgPt−1) and specific activity (SA, 1.25 mA cmPt−2) at 0.9 V (vs. RHE), and the catalyst exhibited high stability with 90.4% MA retention after 20 000 potential cycles. The Pt–Pd bimetallic DTHs configuration combines the advantages of 1D hollow nanostructures and dense Pt dendritic nanobranches, which results in rich electrochemical active surface sites, fast charge transport, and multiple dendritic anchoring points contact on carbon support, thus boosting its catalytic activity and stability towards electrocatalysis.
Carbon fiber felt scaffold from Brazilian textile PAN fiber for regeneration of critical size bone defects in rats: A histomorphometric and microCT study
Authors: Pereira Kauê Alberto , Torquato Letícia Cavassini , Maciel Clarissa Carvalho Martins , Nunes Camilla Magnoni Moretto , Mantovani Ludmilla Oliveira , Almeida Nátaly Domingues , Lopes Sergio Lucio Pereira Castro , de Vasconcellos Luana Marotta Reis , Jardini Maria Aparecida Neves , Marcuzzo Jossano Saldanha , De Marco Andrea Carvalho
Published: August 2024

The objective of the present study was to evaluate the carbon fiber obtained from textile PAN fiber, in its different forms, as a potential scaffolds synthetic bone. Thirty‐four adult rats were used (Rattus norvegicus, albinus variation), two critical sized bone defects were made that were 5 mm in diameter. Twenty‐four animals were randomly divided into four groups: control (C)—bone defect + blood clot, non‐activated carbon fiber felt (NACFF)—bone defect + NACFF, activated carbon fiber felt (ACFF)—bone defect + ACFF, and silver activated carbon fiber felt (Ag‐ACFF)—bone defect + Ag‐ACFF, and was observed by 15 and 60 days for histomorphometric, three‐dimensional computerized microtomography (microCT) and mineral apposition analysis. On histomorphometric and microCT analyses, NACFF were associated with higher proportion of neoformed bone and maintenance of bone structure. On fluorochrome bone label, there was no differences between the groups. NACFF has shown to be a promising synthetic material as a scaffold for bone regeneration.
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential
Authors: Hisama Kaoru , Valadez Huerta Gerardo , Koyama Michihisa
Published: August 2024

Computational understanding of the liquid–electrode interface faces challenges in efficiently incorporating reactive force fields and electrostatic potentials within reasonable computational costs. Although universal neural network potentials (UNNPs), representing pretrained machine learning interatomic potentials, are emerging, current UNNP models lack explicit treatment of Coulomb potentials, and methods for integrating additional charges on the electrode remain to be established. We propose a method to analyze liquid–electrode interfaces by integrating a UNNP, known as the preferred potential, with Coulomb potentials using the ONIOM method. This approach extends the applicability of UNNPs to electrode–liquid interface systems. Through molecular dynamics simulations of graphene–water and graphene oxide (GO)–water interfaces, we demonstrate the effectiveness of our method. Our findings emphasize the necessity of incorporating long‐range Coulomb potentials into the water potential to accurately describe water polarization at the interface. Furthermore, we observe that functional groups on the GO electrode influence both polarization and capacitance.
Zinc‐based metal–organic frameworks for encapsulation and sustained release of ciprofloxacin for excellent antibacterial activities
Authors: Rauf Abdul , Javed Mohsin , Jahangir Muhammad , Hassan Mehdi , Tariq Anam , Ali Wajahat , Bahadur Ali , Iqbal Shahid , Mahmood Sajid , Alotaibi Khalid M , Alshalwi Matar
Published: August 2024

BACKGROUND

In terms of crystalline nanoporous materials, metal–organic frameworks (MOFs) are relatively new. They are self‐assembling structures made of organic ligands that serve as linkers between metal centers and metal ions that function as coordination centers. Due to MOFs' high porosity, absence of nonaccessible bulk volume, vast surface areas and variety of pore sizes and topologies, drug delivery via them is becoming more and more common.

RESULTS

Zn‐MOF and Zn‐MOF@drug were produced using a solvothermal approach in this study and characterized using a variety of methods, including Fourier transform infrared spectroscopy, powder X‐ray diffraction and scanning electron microscopy. Utilizing the zone of inhibition and minimum inhibitory concentration approaches, Zn‐MOF and Zn‐MOF@drug were evaluated for their antibacterial capability against Escherichia coli and Bacillus subtilis, two types of bacteria.

CONCLUSION

The antibacterial potential of Zn‐MOF@drug was greater than that of the metal salt, commercially available ZnO, Zn‐MOF and ligand alone. The mechanism of antibacterial activity of Zn‐MOF@drug was also discussed. © 2024 Society of Chemical Industry (SCI).
Versatile, open‐access opto‐mechanics design for optical microscopes prototyping
Authors: Zinkiewicz Łukasz , Królikowska Milena , Bojdecki Filip , Krupiński‐Ptaszek Alexander , Słota Przemysław , Wasylczyk Piotr
Published: August 2024

Prototype optical microscopes, built to pursue developments in advanced imaging techniques, need specific opto‐mechanical constructions: preferably with high flexibility in the elements' arrangement, easy access to the optical paths, straightforward integration with external optical subsystems—light sources and detectors—as well as good mechanical stability. Typically they are either built around an adapted commercial microscope body or as a home‐brewed setups, based on standard opto‐mechanical elements, and neither solution delivers the desired characteristics. We developed a series of versatile microscope design for prototype optical microscopes in various configurations that use folding mirror(s) to maintain the optical paths horizontal throughout most of the setup. All prototypes use many standard opto‐mechanics in the excitation and detection paths, which simplifies the construction and maintenance of the microscopes. The proposed opto‐mechanical arrangement proved to be useful in building an upright as well as inverted microscopes, in particular Raman microscopes in various configurations. Horizontal arrangement simplified greatly the optical alignment and enabled for fast modifications in the setup—both key advantages at the prototyping stage. Last but not least, the laser safety of the optical system increased. The versatile microscope platform, based around the idea of the horizontal beam arrangement, can easily be adopted to many microscope configurations and to a variety of components that potential users might want to incorporate into them.

Research Highlights

We design, fabricate, and test a compact, versatile opto‐mechanics for prototyping optical microscopes in various configurations.

Horizontal layout along most of the optical paths provides excellent access to the light beams, allows for using standard components and increases the laser safety.
Is there an “optimal” diet for prevention of inflammatory bowel disease?
Authors: Yao Chu K , Fitzpatrick Jessica , Machado Priscila , Staudacher Heidi M
Published: August 2024

Nutritional epidemiological studies have evolved from a focus of single nutrients to diet patterns to capture the protective role of healthy diets on chronic disease development. Similarly, in inflammatory bowel disease (IBD), a healthy diet may be protective against its development in individuals with genetic susceptibility, but the definitions of the optimal diet pattern deserve further exploration. Hence, this review article presents evidence, mainly from prospective cohort studies, for the role of diet quality based on adherence to dietary guidelines, traditional and modern diet patterns in the prevention of IBD. Findings from a limited number of studies on diet quality suggest that high diet quality scores are associated with lower risk of developing Crohn's disease, but the data are inconsistent for ulcerative colitis (UC). There are signals that a Mediterranean diet pattern reduces the risk of Crohn's disease but, again, the data are inconsistent and further studies are much needed. Finally, the evidence is conflicting regarding the role of food additives, with difficulties in the assessment of their intake, namely non‐nutritive sweeteners and emulsifiers, precluding accurate assessment of a relationship with IBD risk. In contrast, emerging evidence for a role of ultra‐processed food in the development of Crohn's disease but not UC is identified. Given the potential influence of diet quality, a Mediterranean diet and ultra‐processed food intake on the risk of Crohn's disease, assessment and implementation of dietary advice for these patients need to be tailored. The search for an optimal diet for UC remains elusive and further research for increasing the evidence in the area is greatly needed.
Sleep quality is associated with reduced quality of life in inflammatory bowel disease through its interaction with pain
Authors: Barnes Alex , Bryant Robert V , Mukherjee Sutapa , Spizzo Paul , Mountifield Réme
Published: August 2024

Background and Aim

Quality of life is reduced in people with inflammatory bowel disease (IBD) and poor sleep is prevalent in people with IBD. This study aimed to investigate the influence of sleep on quality of life (QoL) in people with inflammatory bowel disease.

Methods

An online questionnaire was administered through three tertiary IBD centers, social media, and through Crohn's Colitis Australia. The questionnaire included the EQ‐5D‐5L measures of health‐related QoL, the Insomnia Severity Index, the Pittsburgh Sleep Quality Index (PSQI), and validated IBD activity and mental health scores.

Results

There were 553 responses included with a diagnosis of Crohn's disease (62.2%), with over half on biologic therapy (53.1%). Poor sleep and clinically significant insomnia were associated with lower QoL (EQ‐5D‐5L scores: EQVAS, utility score, P < 0.001 for all). Sleep quality scores correlated with the EQ‐5D‐5L domains of “pain” (ρ 0.35, P < 0.001), “usual activities” (ρ 0.32, P < 0.001), and “depression‐anxiety” (ρ 0.37, P < 0.001). After adjusting for demographic variables, IBD activity, and depression and anxiety via multivariate regression, the “pain” domain continued to be associated with PSQI components “sleep quality” (P < 0.001), “sleep disturbance” (P < 0.001), and “sleep duration” (P < 0.001). Clinically significant insomnia was associated with a reduction in QoL (EQVAS, utility score) independent of IBD activity (P < 0.001) and of a similar magnitude to that seen with IBD activity.

Conclusion

Health‐related QoL in IBD is influenced by aspects of sleep quality irrespective of IBD activity and mental health conditions. The presence of insomnia is associated with a reduction in health‐related QoL. Consideration should be given to sleep targeting interventional studies in an IBD population.
Color Maps: Facilitating the Clinical Impact of Quantitative MRI
Authors: Sollmann Nico , Fuderer Miha , Crameri Fabio , Weingärtner Sebastian , Baeßler Bettina , Gulani Vikas , Keenan Kathryn E. , Mandija Stefano , Golay Xavier , deSouza Nandita M.
Published: August 2024

Presenting quantitative data using non‐standardized color maps potentially results in unrecognized misinterpretation of data. Clinically meaningful color maps should intuitively and inclusively represent data without misleading interpretation. Uniformity of the color gradient for color maps is critically important. Maximal color and lightness contrast, readability for color vision‐impaired individuals, and recognizability of the color scheme are highly desirable features. This article describes the use of color maps in five key quantitative MRI techniques: relaxometry, diffusion‐weighted imaging (DWI), dynamic contrast‐enhanced (DCE)‐MRI, MR elastography (MRE), and water‐fat MRI. Current display practice of color maps is reviewed and shortcomings against desirable features are highlighted.

Evidence Level

5

Technical Efficacy

Stage 2
Pig manure addition promotes organic carbon sequestration dominantly contributed by mineral protection in upland red soil
Authors: Jia Long , Li Peng , Su Tong , Kong Dening , Chen Qianqian , Xu Li , Jiao Jiaguo , Hu Feng
Published: August 2024

Organic fertilizers are essential for enhancing soil organic carbon (SOC) levels and promoting sustainable agriculture. The mechanisms of carbon sequestration in upland red soils using various organic materials are not well understood. Here, the impact of various organic fertilization strategies on SOC fractions, functional groups, iron oxides, and soil aggregates was investigated to clarify the protective mechanisms underlying SOC preservation. Six fertilization regimes were examined: no fertilization (CK), mineral fertilizer (CF), 60% mineral fertilizer (RF), RF + straw (RFS), RF + pig manure (RFP), and RF + vermicompost (RFV). The results demonstrated that SOC contents significantly increased by 62.5% in RFP and 63.1% in RFV compared to the CF treatment, with particulate organic carbon (POC) being the primary contributor. Scanning electron microscopy and X‐ray photoelectron spectroscopy demonstrated that RFP and RFV treatments induced the formation of denser flock‐like aggregates and increased aromatic C content, respectively. Fourier transform infrared spectroscopy analysis indicated that RFV treatment exhibited the highest abundance of functional groups among all treatments. SOC and POC were highly positively correlated with soil chemical properties, soil aggregates, poorly crystalline iron oxides, and aromatic rings. Structural equation models indicated that pig manure and vermicompost directly promoted POC accumulation, while straw provided physical protection for POC by enhancing aggregate formation. Furthermore, pig manure indirectly facilitated the development of POC and mineral‐associated organic carbon via soil biochemical properties and iron oxides, respectively. Overall, the application of organic fertilizers enhanced the physical protection, mineral immobilization, and recalcitrance (alkyl C, aromatic C) of organic carbon, facilitating C sequestration and stability. This study highlights the importance of organic management in upland red soils for increasing SOC storage and maintaining global C balance.
Causal feedback loops modify lake chlorophyll a–nutrient relationships over two decades of nutrient reductions and climate warming
Authors: Fu Hui , Özkan Korhan , Johansson Liselotte Sander , Søndergaard Martin , Lauridsen Torben Linding , Yuan Guixiang , Jeppesen Erik
Published: August 2024

Understanding how the causal feedback between phytoplankton and environmental drivers controlling the chlorophyll a (Chl a, as a proxy of phytoplankton biomass)–nutrient relationships are modulated under different ecosystem conditions is a major challenge in aquatic ecology. Using an empirical dynamic model (convergent cross mapping) on a 20‐yr dataset on 20 Danish lakes, we quantified hypothesized causal feedback networks for each lake and related them to lake system properties (e.g., mean water depth, nutrient concentrations and extent of reduction, climate warming) vs. the Chl a–nutrient relationship (estimated from generalized least square models). The results showed prevalent causal feedback across the studied lakes, which demonstrated clear patterns for the tested ecosystem variations. Weaker causal feedbacks were found in deeper lakes and lakes with larger warming trends, while stronger causal feedbacks appeared in lakes experiencing greater reductions of TP (total phosphorus) and TN (total nitrogen). Moreover, these causal feedbacks showed a strong and positive coupled pattern. Most of the causal feedbacks worked as enhancement loops, which promote the sensitivity of phytoplankton to TP, not least in shallow lakes with a high TP reduction, and as regulatory loops, which force a shift in the Chl a–TN relationship from a more negative slope in lakes experiencing a high nutrient reduction and weak warming to a positive slope in lakes with low nutrient reduction and stronger warming. Our findings suggest a mechanistic explanation of how internal feedbacks regulate the Chl a–nutrient relationships across a broad gradient of nutrient reductions, climate warming, and lake morphologies.
How real is real enough? Unveiling the diverse power of generative AI‐enabled virtual influencers and the dynamics of human responses
Authors: Sorosrungruang Tippayanet , Ameen Nisreen , Hackley Chris
Published: August 2024

Virtual influencers in various forms are capturing a growing share of ad spend from human influencers. Followers respond to virtual influencers much as if they were human, with engagement rates and measures of trust and source credibility that rival their human counterparts. However, there is an acute need for more nuanced understanding of the differential characteristics of user engagement with human influencers and the many emerging forms, types and interactional characteristics of virtual influencers. We conduct an exploratory study of three parts. First, through an indepth review of the existing literature, we delineate the implications of unsettled taxonomies of virtual influencers by function and form, and we outline a revised typology. Second, our secondary review of virtual influencer literature, trade, and industry sources conceptualizes divergent factors influencing the persuasive capability of human and virtual influencers while identifying intersecting research themes. From this synthesis we induce suggestions for future research and practice. Finally, we assess, refine and adjust our framework through depth interviews with leading expert practitioners to generate six key findings to guide future researched‐backed virtual influencer practice and research.
Reconceptualizing the desire‐intention relationship in the Model of Goal Directed Behavior
Authors: Atakan S. Sinem , Bagozzi Richard P.
Published: August 2024

This research reconceptualizes the Perceived Behavioral Control–Desire–Intention relationship within the Model of the Goal‐Directed Behavior. First, it refines Perceived Behavioral Control by adopting the distinction made in the Theory of Planned Behavior literature between Self‐efficacy and Perceived Control. Then, utilizing the Desire‐Intention distinction and the motivation‐opportunity‐ability framework, it reinterprets the model antecedents and how they function. Specifically, it sheds light into the interaction of Desire, Self‐efficacy, and Perceived Control in the regulation of Intention and, subsequently, Behavior. Data from a two‐wave, online survey (N = 403) on healthy eating tests the proposed relationships. Findings reveal that Self‐efficacy and Perceived Control are distinct variables and should be included in models as such. More importantly, they interact to moderate the Desire‐Intention relationship. When Self‐efficacy is low, Perceived Control shapes the Desire‐Intention relationship. When Self‐efficacy is high, the impact of Perceived Control is limited. Perceived Control has a different impact than does Self‐efficacy: when Perceived Control increases, so does the effect of Self‐efficacy and vice versa. The results refine the explanatory mechanisms underlying intention formation while contributing to the fine‐tuning and improvement of the Model of the Goal Directed Behavior. We reveal that the mechanisms behind intention formation are more complex than originally hypothesized.