bluuebunny/crossref_metadata_2025 huggingface dataset:
Positron emission tomography harmonization in the Alzheimer's Disease Neuroimaging Initiative: A scalable and rigorous approach to multisite amyloid and tau quantification
Authors: Landau Susan M. , Harrison Theresa M. , Baker Suzanne L. , Boswell Martin S. , Lee JiaQie , Taggett Jacinda , Ward Tyler J. , Chadwick Trevor , Murphy Alice , DeCarli Charles , Schwarz Christopher G. , Vemuri Prashanthi , Jack Clifford R. , Koeppe Robert A. , Jagust William J. ,   for the U.S. POINTER Study Group and for the Alzheimer's Disease Neuroimaging Initiative
Published: November 2024

INTRODUCTION

A key goal of the Alzheimer's Disease NeuroImaging Initiative (ADNI) positron emission tomography (PET) Core is to harmonize quantification of β‐amyloid (Aβ) and tau PET image data across multiple scanners and tracers.

METHODS

We developed an analysis pipeline (Berkeley PET Imaging Pipeline, B‐PIP) for ADNI Aβ and tau PET images and applied it to PET data from other multisite studies. Steps include image pre‐processing, refacing, magnetic resonance imaging (MRI)/PET co‐registration, visual quality control (QC), quantification of tracer uptake, and standardization of Aβ and tau standardized uptake value ratios (SUVrs) across tracers.

RESULTS

Measurements from 10,105 cross‐sectional and longitudinal Aβ and tau PET scans acquired in several studies between 2010 and 2024 can be processed, harmonized, and directly merged across tracers and cohorts.

DISCUSSION

The B‐PIP developed in ADNI is a scalable image harmonization approach used in several observational studies and clinical trials that facilitates rigorous Aβ and tau PET quantification and data sharing.

Highlights

Quantitative results from ADNI Aβ and tau PET data are generated using a rigorous, scalable image processing pipeline

This pipeline has been applied to PET data from several other large, multisite studies and trials

Quantitative outcomes are harmonizable across studies and are shared with the scientific community
Neighborhood physical activity facilities predict risk of incident mixed and vascular dementia: The Cardiovascular Health Cognition Study
Authors: Moored Kyle D. , Desjardins Michael R. , Crane Breanna M. , Donahue Patrick T. , Richards Emily A. , Hirsch Jana A. , Lovasi Gina S. , Rosso Andrea L. , Garg Parveen K. , Shields Timothy M. , Curriero Frank C. , Odden Michelle C. , Lopez Oscar L. , Biggs Mary L. , Newman Anne B. , Carlson Michelle C.
Published: November 2024

INTRODUCTION

Neighborhood environments may promote neurocognitive health in part by providing amenities that encourage physical activity. We examined associations between quantity of walkable facilities, including specifically physical activity facilities (e.g., gyms, recreation centers), with risk of incident dementia.

METHODS

Participants included 2923 adults ≥ 65 years old from the Cardiovascular Health Cognition Study (1992–1999), with clinically adjudicated dementia classified over a median 6.0 years of follow‐up. Walkable facilities were measured within 1 km (Euclidean) of home. Self‐reported baseline physical activity was considered a moderator.

RESULTS

In adjusted Cox models, participants with ≥ 2 (vs. 0) physical activity facilities had reduced risk of mixed/vascular dementia, but not Alzheimer's disease, particularly after excluding individuals in the bottom 20th percentile of physical activity (hazard ratio = 0.56, 95% confidence interval: 0.35–0.89).

DISCUSSION

Neighborhood amenities that encourage physical activity may mitigate dementia risk via improved vascular health, especially for individuals with sufficient baseline mobility to use these resources.

Highlights

We examined associations between nearby walkable facilities and incident dementia.

Facilities within 1 km were counted via the National Establishment Time Series Database.

More physical activity facilities predicted lower risk of mixed/vascular dementia.

No associations were found between walkable facilities and incident Alzheimer's disease.
Nonenzymatic Hydration of Phosphoenolpyruvate: General Conditions for Hydration in Protometabolism by Searching Across Pathways
Authors: Zimmermann Joris , Bora Basar Atalay , Moran Joseph
Published: November 2024

Numerous reactions within metabolic pathways have been reported to occur nonenzymatically, supporting the hypothesis that life arose upon a primitive nonenzymatic precursor to metabolism. However, most of those studies reproduce individual transformations or segments of pathways without providing a common set of conditions for classes of reactions that span multiple pathways. In this study, we search across pathways for common nonenzymatic conditions for a recurring chemical transformation in metabolism: alkene hydration. The mild conditions that we identify (Fe oxides such as green rust) apply to all hydration reactions of the rTCA cycle and gluconeogenesis, including the hydration of phosphoenolpyruvate (PEP) to 2‐phosphoglycerate (2PGA), which had not previously been reported under nonenzymatic conditions. Mechanistic insights were obtained by studying analogous substrates and through anoxic and radical trapping experiments. Searching for nonenzymatic conditions across pathways provides a complementary strategy to triangulate conditions conducive to the nonenzymatic emergence of a protometabolism.
Zwitterionic 2‐Phosphaethene‐thiolates [(LC)P=CS(LC/P)]+ as PCS Building Blocks (LC=NHC, LP=PR3)
Authors: Royla Philipp , Schwedtmann Kai , Gomila Rosa M. , Frontera Antonio , Weigand Jan J.
Published: November 2024

The zwitterionic compounds [(LC)P=CS(LC/P)]+ (3+, LC=NHC, LP=PR3), featuring cationic substituents at the phosphorus and carbon atoms, are synthesized as their triflate salts at a multi‐gram scale from the reaction of Lewis base adducts of CS2, namely LC/P−CS2 (4), with a combination of [(LCP)4][OTf]4 (1[OTf]4) and Ph3P. The feasibility of using 3+ as PCS building blocks is showcased in their reactions with representative electrophiles (MeOTf) and nucleophiles (MesMgBr, Ph3PCH2), leading to selective functionalization of the PCS core at the S‐ and P‐terminus, respectively. Additionally, it is reported that 3+ can function as ambident nucleophiles with AgOTf (2 equivalents), affording unprecedented linear coordination polymer [Ag2(OTf)3‐μ2:κP,κS−((LC)P=CS(PCy3))]+ (6 b), where the PCS moiety acts as a bridging ligand in transition metal complexes for the first time. Reduction of 3+ facilitates the cleavage of the P‐ and C‐bound substituents leading to the formation of the [PCS]− anion. Moreover, cycloaddition reactions of 3+ with 1[OTf]4 are shown to selectively yield five‐ and eight‐membered polyphosphorus heterocycles. Preliminary results suggest the possibility of activating the C−S bond in [(LC)P=CS(LC)]+, resulting in the formation of [(LC)P=C(LC)−P(LC)][OTf]2, 12[OTf]2, which may serve as a synthon for the PCP unit in future studies.
One‐Pot Cobalt‐ or Copper‐Catalyzed Asymmetric Ring‐Opening Hydrosilylation/Hydroboration of Arylidenecyclopropanes
Authors: Tan Boon Beng , Ge Shaozhong
Published: November 2024

An operationally convenient cobalt‐catalyzed one‐pot one‐step hydrosilylation/hydroboration reaction of arylidenecyclopropanes is developed to access racemic 1,4‐borylsilylalkanes. In addition, the corresponding asymmetric reaction is developed with a chiral copper catalyst to prepare 1,4‐borylsilylalkanes with high enantioselectivity by a one‐pot two‐step procedure. Mechanistic studies reveal that this difunctionalization process begins with metal‐hydride‐catalyzed ring‐opening hydrosilylation of arylidenecyclopropanes to generate homoallylsilane intermediates, followed by regio‐ or enantioselective metal‐hydride‐catalyzed hydroboration of homoallylsilanes to produce skipped borylsilylalkanes. Selective transformations of C−B and Si−H bonds in skipped borylsilylalkane products are also demonstrated.
Formal nullwertige Bis(aren)Germylenkomplexe von Zirconium und Hafnium
Authors: Eberhardt Max J. , Baum Mira , Clewing Stefan F. , Schubert Hartmut , Wesemann Lars
Published: November 2024

Zirconium‐ und Hafniumtetrachlorid bilden mit einem intramolekularen Germylen‐Phosphor‐Lewis‐Paar Addukte (2, 3). Durch eine Zweielektronenreduktion mittels [MesNacnacMg]2 werden zweiwertige Komplexe mit einer η6‐Trip‐Koordination am Zr(II)‐ und Hf(II)‐Metallatom erhalten (4, 5). Die weitere Reduktion dieser M(II)‐Komplexe führt zu nullwertigen Komplexen von Zirconium (6) und Hafnium (7), welche strukturell charakterisiert wurden. Zwei Areneinheiten und das Germylen koordinieren am Metall. Für beide Derivate 6 und 7 wurde für die koordinierende P‐Phenyleinheit eine gefaltete Konformation festgestellt. Die nullwertigen Komplexe können auch durch die Vierelektronenreduktion eines Reaktionsgemisches der Metalltetrachloride mit dem Germylen‐Phosphor‐Lewis‐Paar in guten Ausbeuten erhalten werden. Durch die Reaktion der nullwertigen Verbindungen mit Kohlenstoffmonoxid wurden Carbonylkomplexe synthetisiert. Dimethylbutadien zeigt eine Reaktion mit einer der koordinierten Areneinheiten und dem Germylenliganden der nullwertigen Komplexe, wodurch ein Cyclohexadienyl‐ und ein Triorganogermatligand gebildet werden. Im Falle des Zirconiums ist diese Reaktion reversibel.
Iodide Anion Enables a Reductive Cross‐Electrophile Coupling for Preparing Tertiary Amines
Authors: Lemmerer Miran , Tona Veronica , Just David , Vavrík Miloš , Maryasin Boris , Di Mauro Giovanni , zur Bonsen Andreas B. , Kaiser Daniel , Maulide Nuno
Published: November 2024

The reducing power of iodide anion is an underexplored property that can be used for the cross‐electrophile coupling of organic molecules. Herein we harness this trait for the preparation of tertiary amines through the combination of two simple reagents: an electrophilic‐carbon precursor and an iminium iodide in a dual role – both as nitrogen‐containing building block and as reducing agent. The underlying mechanism of this new C−C bond‐formation paradigm is explored through a combination of experiment and quantum chemical calculations.
Coordination Induced Spin State Transition Switches the Reactivity of Nickel (II) Porphyrin in Hydrogen Evolution Reaction
Authors: Xue Hao‐Zong , Wu Jia‐Hui , Wang Bing‐Wu , Gao Song , Zhang Jun‐Long
Published: November 2024

Electron spin plays a critical role in chemical processes, particularly in reactions involving metal complexes with unpaired electrons. However, more definitive state‐to‐state experiments are needed to better elucidate the role of electronic spin. Herein, we chose nickel (II) 5,10,15,20‐tetrakis(pentafluorophenyl) porphyrin 1 as a catalyst, which allows switching from a low spin to a high spin state of Ni (II) center through an axial pyridine coordination, for electrocatalytic hydrogen evolution reaction (HER). When pyridine is present, we observed β‐hydrogenation of porphyrin through electron transfer followed by proton transfer. In contrast, hydrogen evolution mainly occurs via the concerted proton‐coupling electron transfer without pyridine coordination. Similar distinct spin‐dependent selectivity was also observed in chemical reduction of 1 by CoCp2 with subsequent addition of pyridinium p‐toluenesulfonate. Computational calculations using density functional theory demonstrated that the transition from low spin to high spin state enriches the ligand's electron density after one‐electron reduction, leading to preferential protonation of β‐periphery rather than meso‐position or metal center.
Methanolation of Olefins: Low‐Pressure Synthesis of Alcohols by the Formal Addition of Methanol to Olefins
Authors: Stahl Sebastian , Vossen Jeroen T. , Popp Stephan , Leitner Walter , Vorholt Andreas J.
Published: November 2024

Methanolation of olefins is introduced as a new low‐pressure synthetic pathway to C1 elongated alcohols. Formally, H3COH is added to the C=C bond in a 100 % atom efficient manner. Mechanistically, the overall transformation occurs as a tandem reaction sequence by combining the dehydrogenation of methanol to syngas at a CO : H2 ratio of 1 : 2 with subsequent hydroformylation to the corresponding aldehyde and its final hydrogenation to the alcohol. The dehydrogenation and hydrogenation steps are catalyzed by a Mn/pincer complex, while the hydroformylation is accomplished by a Rh/phosphine catalyst. Using 1‐octene as prototypical substrate, a yield of 80 % nonanol was achieved with a ratio of 93 : 7 of linear to branched alcohols and turnover numbers (TONRh) of more than 17 000 could be obtained in relation to the precious metal Rhodium. The integrated catalytic system provides direct access to alcohols from olefins and “green” methanol, avoiding the handling of pressurized CO and H2 and the use of specialized high‐pressure equipment as the process conditions do not exceed 10 bar with partial pressures of syngas in the range of only 1–2 bar.
Enhanced Photocatalytic Synthesis of Urea from co‐Reduction of N2 and CO2 on Z‐Schematic SrTiO3‐FeS‐CoWO4 Heterostructure
Authors: Ahmad Muhammad Irfan , Liu Yanming , Wang Yaqi , Cao Peike , Yu Hongtao , Li Houfen , Chen Shuo , Quan Xie
Published: November 2024

The photocatalytic co‐reduction of CO2 and N2 is a sustainable method for urea synthesis under mild conditions. However, high‐yield synthesis of urea is a challenge due to the sluggish kinetics of the C−N coupling reaction. Herein, we have successfully engineered a Z‐scheme photocatalyst, SrTiO3‐FeS‐CoWO4, for boosting photocatalytic urea synthesis via enhancing the initial CO2 and N2 adsorption step and reducing the energy barrier for the C−N coupling reaction. A high urea yield of 8054.2 μg ⋅ gcat−1 ⋅ h−1 was achieved on SrTiO3‐FeS‐CoWO4, which was significantly higher than the state‐of‐the‐art. The SrTiO3‐FeS‐CoWO4 Z‐scheme photocatalyst, with accelerated charge transfer by FeS, not only had dual active sites for the chemical adsorption and activation of CO2 and N2, but also retained the high conduction band (−1.50 eV) and accelerated supply of electrons and protons, which are responsible for its good photoreduction activity and significantly reduced energy barrier for the rate‐determining step of C−N coupling reaction.
Electron Transfer Mediator Modulates Type II Porphyrin‐Based Metal–Organic Framework Photosensitizers for Type I Photodynamic Therapy
Authors: Zhuang Jiahao , Liu Shitai , Li Bowen , Li Zhiyao , Wu Chongzhi , Xu Duo , Pan Weidong , Li Zhen , Liu Xiaogang , Liu Bin
Published: November 2024

Photodynamic therapy (PDT), a minimally invasive and effective local treatment, heavily depends on photosensitizer (PS) performance and oxygen availability. Despite the use of PS‐based metal–organic frameworks (MOFs) to address the solubility and aggregation issues of PSs, the inherent hypoxic intolerance of mainstream Type II PDT remains challenging. Herein, we report an electron transfer strategy for the fabrication of hypoxia‐tolerant Type I MOFs by encapsulating thymoquinone (TQ) into existing Type II MOFs. With TQ serving as an effective electron transfer mediator, it facilitates the electron transfer process from the MOF ligand PS to oxygen, establishing the Type I pathway and attenuating the original Type II pathway. Four representative porphyrin‐based MOFs are synthesized to demonstrate the proposed strategy. Our findings reveal that TQ@MOF‐1 nanoparticles (NPs) exhibit enhanced anticancer activity under hypoxic conditions and superior in vivo antitumor efficacy compared to parent MOF‐1 NPs. This work offers an effective and universal strategy to modulate ROS generation in PS‐based MOFs, endowing hypoxic tolerance with improved PDT performance against solid tumors.
Metal‐Organic Framework‐Based Electrodes for Asymmetric Supercapacitors
Authors: Zhang Liuliu , Wang Yisong , Yang Cui , Tao Kai
Published: November 2024

Supercapacitors (SCs) are a promising electrochemical device in the field of electrochemical energy storage, but their wide range applications are limited by relatively low energy density. Asymmetric supercapacitors (ASCs) based on different positive and negative electrodes offer the possibility to increase the energy density by extending the voltage window. It is essential to explore novel electrode materials to boost the electrochemical properties of ASCs. Metal‐organic frameworks (MOFs) have emerged as ideal electrode materials for SCs, due to their high porosity, tunable structure and highly dispersed active sites. MOFs can also be used as templates or precursors for the preparation of versatile electrode materials, such as carbon materials and metal compounds. In this minireview, SCs and MOF‐based electrode materials are first introduced, followed by an overview of recent advances in the synthesis of MOF‐based electrode materials including pristine MOFs, MOF derivatives and their composites, and their applications in ASCs acted as negative electrode, positive electrode or both. Finally, the challenges and prospects of MOF‐based ASCs are discussed.
Fluorine‐Free Bis(glycolato)borate Anion‐Based Salts and Electrolytes: Structures, Properties, and Lithium Compatibility
Authors: Xu Yanqi , Filippov Andrei , Shimpi Manishkumar R. , Ullah Shah Faiz , Johansson Patrik
Published: November 2024

A number of bis(glycolato)borate (BGB) anion‐based salts, comprising Li+, Na+, K+, Mg2+ and Ca2+ cations, has been synthesized and characterized. Fluorine‐free electrolytes based on LiBGB and organic solvents, such as dimethyl sulfoxide (DMSO), triethyl phosphate (TEP), and trimethyl phosphate (TMP) have been created and their transport properties, thermal and electrochemical stabilities, and lithium compatibility are examined. The ionic conductivities of the 1 M LiBGB‐TEP and 1 M LiBGB‐TMP electrolytes are ca. 2–3 times lower than for the 1 M LiBGB‐DMSO electrolytes (2.05, 2.65 vs. 5.70 mS cm−1 at 25 °C), and as compared to the state‐of‐the‐art 1 M lithium hexafluorophosphate (LiPF6) in EC:DEC (EC:DEC=1 : 1 in vol., LP40) they display lower ionic conductivities, but the formers’ redox stability on aluminum (Al) and glassy carbon electrodes are much better. Concentrated (>1 M) LiBGB‐DMSO electrolytes display enhanced redox stability, but worse Al passivation. Among the electrolytes, 1 M LiBGB‐TMP achieves the best long‐term stability over 300 h at 0.1 mA/cm2 for Li plating‐stripping while the Li compatibility needs to be further improved. Overall, this study introduces a family of versatile fluorine‐free orthoborate salts and electrolytes for mono‐ and divalent batteries, and a fundamental understanding of their transport and electrochemical properties, aiming towards battery applications.
Insights into the Mechanism of a Vanadium Bromoperoxidase from the Marine Macro‐Algae Corallina pilulifera for Biocatalytic Halogenation
Authors: Mitchell Daniel E. , Garcia‐Rodriguez Esther , Isupov Michail N. , Littlechild Jennifer A.
Published: November 2024

Vanadium haloperoxidases have been studied to understand their mechanism and halide specificity. Crystal structures of vanadium bromoperoxidase enzyme complexes from Corallina piluifera, with vanadate and bromide and with phosphate and chloride, show significant displacement of loop residues 336–338 upon halogen binding. This shows a “closed position” of Leu337 locking the bromide ion in a hydrophobic environment favoring the vanadium peroxide reaction with the halogen by retaining the resulting hypobromite in the enzyme active site. The bound cofactor exists as a mixture of free vanadate and histidine553‐vanadate adduct. A mutant enzyme  Arg397Trp also has been crystallized with bound phosphate and its structure determined with and without the bound bromide ion. The precise positions of the bromine have been determined using its anomalous signal. The bromide binding site in the mutant enzyme is displaced by 2.5 Å resulting in a mixed population of the “open” and the “closed” forms of Leu337. This allows additional chloroperoxidase activity due to re‐positioning of the halogen ion 0.6 Å closer to the vanadate ion. These studies support the application of vanadium haloperoxidase enzymes for selective halogenation of important drug molecules.
Allylation, Alkenylation, and Alkynylation of Monofluoromethyl Ketyl Radical Enabled by Photoredox Halogen‐Atom‐Transfer
Authors: Sun Meng‐Qi , Zhai Shi‐Jing , Nie Jing , Cheng Ying , Deng Xiaojuan , Ding Guosheng , Cahard Dominique , Ma Jun‐An , Zhang Fa‐Guang
Published: November 2024

In this study, we disclose an innovative strategy to access α‐monofluoromethyl secondary alcohol derivatives under mild blue‐light irradiation from brominated fluoroethanol benzoate (BFEB). This reaction takes advantages of bulky silicon radical as a halogen atom transfer (XAT) acceptor to generate the nucleophilic monofluoromethyl ketyl‐type radical, which serves as the key intermediate to couple with a series of phenylsulfonyl‐masked substrates. A broad scope of allyl, alkenyl (Z and E configurations), and alkynyl α‐monofluoromethyl carbinol derivatives were obtained in moderate to good yields.
Experimental and model‐based investigation of the droplet size distribution during the mixing process in a batch‐settling cell
Authors: Sibirtsev Stepan , Thiel Lukas , Zhai Song , Cai Yutang Toni , Recke Louis , Jupke Andreas
Published: November 2024

The design of a liquid–liquid gravity settler relies on the experimental investigation and model‐based description of the phase separation process in a batch‐settling cell. However, according to the current state of the art, the modelling assumes a monodisperse droplet size distribution (DSD), which can lead to an inaccurate settler design. This study considers the polydispersity of the initial DSD resulting from the mixing process in the settling cell to enhance the model accuracy. DSDs of o/w and w/o dispersions during the mixing process in a settling cell are investigated in this work for 2‐methyltetrahydrofuran/water and decane/water material systems at hold‐ups of 25–50 vol.% and stirrer speeds of 400–850 min−1. Sauter mean diameters (SMD) and DSD shapes are analyzed to identify the influence of the investigated parameters on the SMD and DSD and to model the SMD and DSD. The experimental investigation shows that stirrer speed, hold‐up, and interfacial tension significantly affect the DSD, while the viscosity of the continuous phase plays a minor role. The SMD is correlated to the Weber number, viscosity group, and hold‐up by a model with a mean absolute percentage error (MAPE) of 3.6%. The DSD is described by a log‐normal distribution function with a MAPE of 5%. The SMD and DSD models presented in this work can be used to describe the initial DSD of the phase separation process in a batch‐settling cell, considering polydispersity and thus increasing the modelling accuracy of the phase separation process.
Association Between Orthostatic Hypotension With Coronary Slow Flow in Patients With Chest Pain: A Single Center Experience
Authors: Han Lijun , Li Meng , Xie Wenting , Lu Jianran , Yu Liang , Liu Xinying , Lv Na , Zhang Lulu , Zhang Yan , Liu Yanan , Li Yanrong
Published: November 2024

Background

Orthostatic hypotension (OH) is associated with different cardiovascular diseases, however, the association between OH and coronary slow flow (CSF) has never been evaluated before.

Materials and Methods

Chest pain patients who underwent coronary angiography (CAG) and with normal coronary arteries in our department from January 1st, 2022 to August 31st, 2023 were retrospectively enrolled. Patients were divided into the CSF group and the normal blood flow (NBF) group. Relative clinical information, laboratory test results as well as the results of CAG were collected and analyzed. Both uni‐variable and multi‐variable logistic regression analyses were used to evaluate the association between OH and CSF in these patients.

Results

Four thousand six hundred and twenty‐seven patients underwent CAG and 655 patients had normal coronary arteries. In which, sixty‐nine patients were diagnosed with CSF while 586 patients were diagnosed with NBF. Uni‐variable analysis revealed that higher body weight index, faster heart rate in sitting position, accompanied with chronic kidney disease, did not take Antidiabetic therapy, higher level of aspartate transaminase, uric acid, triglyceride, total cholesterol, ApoB1, low‐density lipoprotein cholesterol, homocysteine, B‐type natriuretic peptide as well as OH are the risk factors for CSF in these patients. Multi‐variable logistic regressing analysis further demonstrated that OH was the independent risk factor for predicting CSF in these patients.

Conclusions

Our finding suggests OH might be a useful predictor for CSF in patients with chest pain but normal coronary arteries.
Sustainable Bio‐Adsorbents From Banana Post‐Harvest Agricultural Residues: Kinetics, Equilibrium, and Mechanism Prospection of Methylene Blue Dye Adsorption
Authors: Milani Laura Alessandra Prado , Zanette Ana Carolini Córneo , Dauzacher Natalí Bianca Rafael Olária , Crippa Denis Depieri , Possenti Graziele Vefago Boaventura , Battisti Rodrigo
Published: November 2024

Water pollution from industrial‐colored effluents, generated by large volumes of liquid effluents containing synthetic dyes, generally harmful and non‐biodegradable, affects environmental biota and human health. Considering the potential use as bio‐adsorbents of agro‐industrial residues, in the present work insights into the kinetics, equilibrium, and mechanism of the methylene blue (MB) dye adsorption by six bio‐adsorbents produced from the post‐harvest residues from the banana tree, a widely cultivated crop in Brazil, were investigated. The six prepared bio‐adsorbents were tested to verify the adsorption capacity as gross residues, after carbonization, and after alkaline‐chemical activation. Bench‐scale experiments conducted at different conditions showed that experimental data were better described by the Langmuir isotherm, by the intraparticle diffusion model (with external diffusion being the dominant step), followed by the pseudo‐second‐order model, indicating the predominance of monolayer chemisorption. In addition, maximum adsorption capacities ranged between 10.55 and 25.51 mg/g, with a higher dye removal rate at alkaline pH. The adsorption of the MB dye onto the six produced bio‐adsorbents occurred through both polar and nonpolar interactions. The overall study indicated that both the pseudo‐stem and the leaves from post‐harvest banana crops could be a cost‐effective natural bioresource for producing efficient and sustainable bio‐adsorbents for treating colored liquid effluents.
Nature‐inspired Novel Quaternary Ammonium Compounds: Synthesis, Antibacterial and Antibiofilm Activity
Authors: Muzychka Liubov , Hodyna Diana , Metelytsia Larysa , Smolii Oleg
Published: November 2024

Inspired by marine compounds isolated from sponges and the increased need for new effective antimicrobials, novel quaternary ammonium compounds with long alkyl chains (C8‐C12) were designed and synthesized. Antibacterial and antibiofilm activity of new compounds was evaluated against six microbial strains (S. aureus, E. coli, and P. aeruginosa). All synthesized ammonium salts displayed antibacterial activity with MIC values ranging from 5.0 to 25.0 μg/mL. In addition, most compounds showed strong inhibition of biofilm formation of S. aureus ATCC 25923, P. aeruginosa PA01, and colistin‐resistant P. aeruginosa (CRPA) at a concentration of 5.0 μg/mL. Ammonium salt 3 showed 100 % inhibitory activity against all tested bacterial biofilms except that of colistin‐resistant S. aureus (CRSA).
Development of a Serum Metabolome‐Based Test for Early‐Stage Detection of Multiple Cancers
Authors: Nagarkar Rajnish , Gopichand Mamillapalli , Pal Suparna Kanti , Gupta Ankur , Saquib Najmuddin Md , Ahmad Ahmad , Sagar Ganga , Rao Kanury V. S. , Siddiqui Zaved , Longkumer Imliwati
Published: November 2024

Background

Detection of cancer at the early stage currently offers the only viable strategy for reducing disease‐related morbidity and mortality. Various approaches for multi‐cancer early detection are being explored, which largely rely on capturing signals from circulating analytes shed by tumors into the blood. The fact that biomarker concentrations are limiting in the early stages of cancer, however, compromises the accuracy of these tests. We, therefore, adopted an alternate approach that involved interrogation of the serum metabolome with machine learning‐based data analytics. Here, we monitored for modulations in metabolite patterns that correlated with the presence or absence of cancer. Results obtained confirmed the efficacy of this approach by demonstrating that it could detect a total of 15 cancers in women with an average accuracy of about 99%.

Aims

To further increase the scope of our test, we conducted an investigator‐initiated clinical trial involving a total of 6445 study participants, which included both cancer patients and non‐cancer volunteers. Our goal here was to maximize the number of cancers that could be detected, while also covering cancers in both females and males.

Methods and Results

Metabolites extracted from individual serum samples were profiled by ultra‐performance liquid chromatography coupled to a high‐resolution mass spectrometer using an untargeted protocol. After processing, the data were analyzed by our cancer detection machine‐learning algorithm to differentiate cancer from non‐cancer samples. Results revealed that our test platform could indeed detect a total of 30 cancers, covering both females and males, with an average accuracy of ~98%. Importantly, the high detection accuracy remained invariant across all four stages of the cancers.

Conclusion

Thus, our approach of integrating untargeted metabolomics with machine learning‐powered data analytics offers a powerful strategy for early‐stage multi‐cancer detection with high accuracy.

Trial Registration: Registration No: CTRI/2023/03/050316
Conservative Resolution of a Vesicovaginal Fistula Including Laser Therapy in a Patient Who Underwent Recurrent Surgery After Prior Radiotherapy for Endometrial Cancer
Authors: Buda Alessandro , Mauro Jessica , Varvello Francesco , Antolini Jacopo , Di Guardia Giuseppe , Bar Enrica , Filipello Federica , Milani Rodolfo
Published: November 2024

Background

Isolated vaginal vault recurrence of endometrial cancer can be treated with rescue radiotherapy. However, in previously irradiated patients, surgical resection can be considered the treatment of choice. Vesicovaginal fistulas (VVFs) sometimes complicate the surgical intervention because of the presence of massive ischemia and fibrosis of pelvic tissue from previous irradiation. Traditional strategies for the treatment of VVFs include endoscopic treatment (when feasible) or a laparoscopic, robotic, or open abdominal approach in some experiences through a transvesical route. The last approach can be associated with long inpatient hospital stays, postoperative complications, and failure, especially in obese patients. Our report proposes a conservative approach with prolonged catheterization and placement of nephrostomy tubes to treat a VVF with laser therapy of the fistula.

Case

We present the case of a woman with a second relapse of endometrial cancer at the level of the vaginal vault, after a hysterectomy and then radiotherapy for a first relapse, who underwent robotic partial colpectomy, with an intraoperative bladder lesion, which was repaired with interrupted stitches. However, the patient developed a vesicovaginal fistula. A conservative approach was initially undertaken as an alternative to the surgical repair of the fistula. After the clinical and radiological confirmation of the fistula andconsidering the patient's clinical condition, the multidisciplinary team proposed a conservative management of the fistula as an alternative to fistula surgical repair. Bladder catheter Ch 20 and bilateral nephrostomy did not completely resolve the fistula, with a minor residual linkage between the bladder and the vaginal vault after 8 months from the robotic surgery. A single/month diode laser application for 3 months was added to the conservative treatment. Cystography was negative at the end of laser sessions, and both nephrostomies were removed 1 week later. After 6 months, clinical and radiological follow‐up was negative, and no further vaginal urine loss was recorded.

Conclusion

We believe that conservative management of a complex vesicovaginal fistula after multiple treatments for endometrial cancer is possible. In this scenario, laser therapy can be a valuable clinical tool to improve the outcome, with reduced invasiveness for the patient.
Crosstalk Between the Intratumoral Microbiota and the Tumor Microenvironment: New Frontiers in Solid Tumor Progression and Treatment
Authors: Zhou Qing , Zhou Lijun , Chen Xi , Chen Qiuyan , Hao Lu
Published: November 2024

Background

The microbiota plays a significant role in the tumor microenvironment, and its impact on tumor development and treatment outcome cannot be overlooked. Thus, it is essential to comprehend the interactions between the microbiota and the tumor microenvironment.

Recent Findings

With the advent of next‐generation sequencing, microbiota research has advanced significantly in recent years. The interaction between the intratumoral microbiota and the tumor microenvironment is an emerging area of research that holds great promise for understanding and treating solid tumor progression. This crosstalk between the intratumoral microbiota and the tumor microenvironment is a complex process that involves a multitude of factors, including the immune system, cellular signaling pathways, and metabolic processes. The origin of the intratumoral microbiota differs between various solid tumor, and the quantity and diversity of intratumoral microbiota also fluctuate significantly within each solid tumor.

Conclusion

The aim of this review is to provide a detailed summary of the intratumoral microbiota in various types of solid tumors. This will include an analysis of their origins, differences, and how they impact the progression of solid tumors. Furthermore, we will emphasize the significant potential that the intratumoral microbiota holds for the diagnosis and treatment of solid tumors.
Conceptualizing Surface‐Like Diffusion for Ultrafast Ionic Conduction in Solid‐State Materials
Authors: Zhang Jingxi , Dong Yanhao , Wang Chang‐An
Published: November 2024

Surface‐like diffusion is a recently proposed concept to explain the mechanism of ultrafast ionic conduction in high‐rate oxide (e. g., niobium oxides and their alloys with TiO2 and WO3) and framework materials (e. g., Prussian blue analogs). This perspective seeks to illustrate the structural origin, theoretical foundation, and experimental evidences of surface‐like diffusion. Unlike classical lattice diffusion, which typically involves ionic hopping between adjacent interstitial sites in solids, surface‐like diffusion occurs when ions–that are significantly smaller than the interstitials–migrate along the off‐center path in the diffusion channel. This mechanism results in an exceptionally low activation energy (Ea) down to 0.2 eV, which is crucial for achieving high‐rate performance in electrochemical devices such as lithium‐ion and sodium‐ion batteries. This concept review also discusses the criteria to identify materials with potential surface‐like diffusion and outlines theoretical and experimental tools to capture such phenomenon. Several candidates for further investigation are proposed based on the current understanding of the mechanism.
AI‐Driven Learning and Regeneration of Analog Circuit Designs From Academic Papers
Authors: Xiong Wenxiao , Meng Xiangyu , Tao Yuwen , Ling Peng
Published: November 2024

This paper presents an artificial intelligence (AI)‐based framework designed for learning and regenerating analog circuits from academic papers. The framework comprises four distinct modules: circuit extractor, table extractor, text extractor, and simulation executor. The circuit extractor module utilizes deep learning object detection to identify devices and their associated textual descriptions while extracting interconnections between devices. The table extractor module handles textual and image‐based tables, extracting device parameters, and simulation data. The text extractor module leverages optical character recognition (OCR) and AI models to extract supplementary information. The simulation executor employs this information to conduct simulations and optimize circuit performance. In our experiments, our method effectively extracts multimodal circuit design information, achieving an average accuracy of up to 97% in target detection within the circuit extractor module. The improved performance during the simulation process further validates the effectiveness of our framework.
Self‐Decoupled Four/Six‐Element MIMO Antenna Designed With Manufactured Coconut Husk–Based Substrate and Its Measured Dielectric Properties
Authors: Biswas Ashim Kumar , Pandey Raju , Pattanayak Soumya Sundar , Chakraborty Ujjal
Published: November 2024

This paper presents a very low–profile self‐decoupled four/six‐element multiple‐input multiple‐output (MIMO) antenna. Dielectric properties as measured of a manufactured biomass substrate are used to design the antenna. On the antenna's top surface, two types of asymmetric antenna elements are used. Among the six elements—two pairs are symmetric, and the third pair is slightly different with respect to the first two pairs in dimension. The antenna covers the impedance bandwidth of 5.14 to 7.15 GHz. It confirms the WLAN (5.15–5.85 GHz) and C‐band uplink (5.925–6.425 GHz) application bands with greater than 20 dB of port isolation without exploring any additional decoupling network. A prototype of the assembly is fabricated and necessary parameters are measured. Very low correlations between the antenna elements are found. The evaluated diversity performances and radiation characteristics are good enough to recognize the proposed MIMO structure.
One in Five Atherosclerotic Cardiovascular Disease Events in Individuals With Diabetes Attributed to Elevated Remnant Cholesterol
Authors: Wadström Benjamin N. , Pedersen Kasper M. , Wulff Anders B. , Nordestgaard Børge G.
Published: November 2024

Aims

Elevated remnant cholesterol (= the cholesterol carried in triglyceride‐rich lipoproteins) is a causal risk factor for atherosclerotic cardiovascular disease (ASCVD) and is common in individuals with diabetes. We tested the hypothesis that ASCVD in individuals with diabetes can be partly attributed to elevated remnant cholesterol.

Materials and Methods

We included 3806 individuals with diabetes identified among 107,243 individuals from the Copenhagen General Population Study and used multivariable adjusted Poisson regression to estimate the fraction of ASCVD attributable to elevated remnant cholesterol. Elevated remnant cholesterol was defined as levels higher than those observed in individuals with non‐high‐density lipoprotein (non‐HDL) cholesterol < 2.6 mmol/L (100 mg/dL), the European guideline goal. Results were replicated in the UK Biobank.

Results

During 15 years of follow‐up, 498 patients were diagnosed with ASCVD, 172 with peripheral artery disease, 185 with myocardial infarction and 195 with ischaemic stroke. In individuals with non‐HDL cholesterol < 2.6 mmol/L (100 mg/dL) and in all individuals with diabetes, median remnant cholesterol levels were 0.5 mmol/L (20 mg/dL) and 0.8 mmol/L (31 mg/dL). The fraction of events attributable to elevated remnant cholesterol was 19% (95% confidence interval: 10%–28%) for ASCVD, 21% (5%–37%) for peripheral artery disease, 24% (10%–37%) for myocardial infarction and 17% (1%–31%) for ischaemic stroke; in the UK Biobank, corresponding values were 16% (9%–22%), 25% (12%–36%), 17% (8%–25%) and 7% (0%–19%), respectively.

Conclusions

One in five ASCVD events in individuals with diabetes can be attributed to elevated remnant cholesterol. It remains to be determined in clinical trials if remnant cholesterol‐lowering therapy may prevent ASCVD.
Sex Identification of a Multispecies Carinatae Birds by Chicken EE0.6 Gene Using Real‐Time Recombinase‐Aid Amplification Assay
Authors: Zeng Fanwen , Zhong Wanhuan , Chen Tanzipeng , Wang Guoqian , Sa Jiaqi , Zhang Shouquan , Wei Hengxi , Chen Xuanjiao
Published: November 2024

The difficulty in bird sex identification has made molecular sexing an important way to solve this problem. The conventional polymerase chain reaction (PCR) methods are time‐consuming and dependent on laboratory equipment. Recombinase‐aided amplification (RAA) is a rapid, specific, sensitive, and cost‐effective isothermal nucleic acid amplification technique. Hence, a rapid birds sexing method based on real‐time RAA targeting the unique conserved sequence 0.6‐kb EcoRI fragment (EE0.6) gene of Carinatae birds has been established and showed good specificity at 39°C for 20 min. The limit of detection for the real‐time RAA assay was determined to be 10 pg., which is 10 times more sensitive than the conventional PCR assay. For real clinical samples, the real‐time RAA assay was successfully determined sex in a subset of nine bird species and was 100% consistent with the conventional PCR assay. Consequently, the present real‐time RAA assay proves to be a powerful on‐site detection tool that can be used for an efficient and reliable birds sexing for further studies on sex ratio and captive management.
Spatial and Temporal Variation of Precipitation Drives the Genome Size Variation in Scolopendra in Chinese Mainland
Authors: Zhang Kai , Dayananda Buddhi , Liu Yifei , Hu Zhigang , Zhang Lin
Published: November 2024

Genome size is an adaptive trait, and its variations influence the organismal phenotype and fitness. In this study, we propose a hypothesis linking variations in genome size within Scolopendra to ecological factors. To test this hypothesis, we employed flow cytometry to estimate genome size in seven Scolopendra species from Chinese mainland. Subsequently, we reconstructed the phylogenetic relationship of these species using the cytochrome c oxidase subunit 1 gene and conducted phylogenetic comparative analysis to assess the relationships between genome size and niche breadth or 19 bioclimatic variables. Our findings indicate the following: (1) genome size in Scolopendra can be categorized into three groups, similar to the phylogenetic clades; (2) there is a negative correlation between genome size in Scolopendra species and the precipitation niche breadth of species; (3) the estimated divergence time of Scolopendra dates back 153 Mya, during the Jurassic period. We assume that consistent aridity geological periods may promote the evolution of Scolopendra species with a large genome size, whereas rapidly fluctuating humidity geological periods may have the opposite effect.
Mn‐Doped CoFeP Nanosheets as Effective Electrocatalysts for Superior Overall Water Splitting
Authors: Li Ning , Dong Yue , Ma Bin , Zhang Jiatong , Qiu Yanping , Gao Yangqin , Liu Zhifeng , Ge Lei
Published: November 2024

For green hydrogen, the exploitation of advanced electrocatalysts is crucial, and transition metal phosphides have great potential in water splitting due to their abundant reserves and optimized electronic structure. Herein, a synergistic approach involving Mn doping and phosphorization is applied to CoFe‐layered double hydroxide nanoflowers to produce a series of bifunctional catalysts Mn‐doped CoFeP (Mn‐CoFeP). Electrochemical evaluations demonstrate that the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performance of Mn(10%)‐CoFeP both have notable improvement in 1 M KOH, with the overpotentials of only 160 and 239 mV to achieve current densities of 10 and 100 mA cm−2, respectively. Comparative electrocatalytic analysis indicates that moderate Mn doping mainly contributes to improve the OER performance, while the phosphorization significantly enhances the HER activity, resulting in effective bifunctional catalysis. For overall water decomposition, a total hydrolysis electrolysis cell equipped with the Mn(10%)‐CoFeP bifunctional catalyst requires only 1.64 V to reach a current density of 10 mA cm−2. Furthermore, it performs stable operation for 10 h at a current density of 10 mA cm−2 with a current maintenance rate of 83.6%. This work offers new insights into preparing effective bifunctional electrocatalysts, advancing clean energy development.
Monoclonal gammopathy of undetermined significance with multiple paraproteins: A population‐based screening study
Authors: Rögnvaldsson Sæmundur , Óskarsson Jón Þ. , Thorsteinsdóttir Sigrun , Hultcrantz Malin , Palmason Robert , Sverrisdottir Ingigerdur S. , Eythorsson Elias , Long Thorir E. , Olafsson Isleifur , Thorsteinsdottir Ingunn , Vidarsson Brynjar , Onundarson Pall T. , Agnarsson Bjarni A. , Sigurdardottir Margret , Jonsson Asbjorn , Durie Brian G. M. , Harding Stephen , Landgren Ola , Love Thorvardur J. , Kristinsson Sigurdur Y.
Published: November 2024

Monoclonal gammopathy of undetermined significance (MGUS) is the precursor of multiple myeloma (MM) and related disorders. MGUS is characterized by asymptomatic paraproteinemia. In some cases, multiple paraproteins can be identified but the clinical implications of this phenomenon are poorly understood. In this study, we aim to inform the approach to this challenging MGUS subgroup by utilizing data from iStopMM, a population‐based screening study and randomized trial of follow‐up strategies. In total, 75,422 Icelanders over the age of 40 were screened for MGUS with 3389 (4.4%) having at least one paraprotein of whom 303 (9%) had multiple paraproteins. IgM paraproteins were more common in those with multiple paraproteins (49% vs. 27% of paraproteins, p < 0.001), and IgM and non‐IgM paraproteins frequently co‐occurred (60% of cases). Two‐thirds of these participants were randomized to active follow‐up where only 31% of multiple paraproteins were persistent. Paraprotein concentrations were mostly independent, and although progression events were few, the progression rate was similar between those with multiple paraproteins and a single paraprotein. In a next‐generation flow cytometry (NGF) sub‐study, two phenotypically distinct aberrant plasma cell populations could be identified in some with multiple paraproteins. The findings suggest that multiple paraproteins often reflect independent ongoing disease processes that should be monitored independently but otherwise treated similarly to other MGUS cases. Specifically, the findings highlight the need for independent monitoring of IgM and non‐IgM paraproteins in these individuals. The study provides novel insights into the management of this understudied MGUS subset.