bluuebunny/crossref_metadata_2025 huggingface dataset:
Spatiotemporal Encapsulation of Tandem Enzymes in Hierarchical Metal–Organic Frameworks for Cofactor‐Dependent Photoenzymatic CO2 Conversion
Authors: Li Yan , Wang Jieqiong , Shi Xiaoqian , Yu Xiaoxuan , Yu Shuangjiang , Liu Junqiu , Sun Hongcheng
Published: November 2024

The photo‐enzyme coupling system (PECS) holds immense potential in “green” biomanufacturing, encompassing the realms of pharmaceuticals, fuels, and carbon sequestration. Nevertheless, the intricate nature of enzymes' structures significantly impedes the seamless integration of multiple enzymes in a precise, tandem fashion, with exact control over their distribution, posing a formidable challenge. Herein, it has devised a mesoporous csq‐type metal organic framework (Zr‐MOF) from meso‐tetrakis‐(4‐((phenyl)ethynyl)benzoate)porphyrin (Por‐PTP) and Zr6(μ3‐O)4(μ3‐OH)4(OH)4(H2O)4) nodes (Zr6 clusters), featuring intricate hierarchical hexagonal (5.8 nm) and triangular (2.9 nm) channels, enabling the simultaneous encapsulation of Formate dehydrogenase from Candida boidinii (CbFDH) and ferredoxin‐NADP+ reductase (FNR) via a spatiotemporally controlled strategy for cofactor‐dependent photoenzymatic carbon dioxide (CO2) conversion. Upon illumination, photoexcited electrons originating from the Zr‐MOF frameworks migrate to the adjacent FNR for cofactor NADH regeneration, which is then harnessed by proximal CbFDH for CO2 fixation. Concurrently, the resulting holes are neutralized by AA for system recovery. The results demonstrated the confinement of tandem enzymes within MOF channels significantly enhanced the performance of multi‐enzyme cascade pathways as well as augmenting the local NAD+/NADH, which leading to a further improvement in the efficiency of tandem biocatalytic formic acid generation (55 mm) from CO2. Crucially, the photo‐enzyme‐coupled factories exhibited remarkable stability alongside exceptional recyclability, attributed to the preservation of MOF skeletons.
Porous Single‐Crystal Nitrides for Enhanced Pseudocapacitance and Stability in Energy Storage Applications
Authors: Gao Xiangqi , Ma Guoliang , Luo Cong , Xi Shaobo , Ye Lingting , Xie Kui
Published: November 2024

Supercapacitors have emerged as a prominent area of research in energy storage technology, primarily because of their high power density and notable stability compared to batteries. However, their practical implementation is hindered by their low energy densities and insufficient long‐term stability. In this study, bulk porous Nb4N5 and Ta3N5 single crystals with excellent pseudocapacitance and electrical conductivity are successfully prepared by solid‐phase transformation method. These monolithic porous single crystals (PSC) exhibit a long‐range ordered crystalline architecture and substantial specific surface area, which facilitate rapid charge transport and ion diffusion within the electrolyte‐permeated crystal lattice. Notably, the areal capacitance of the porous Nb4N5 single crystals is 12.9 F cm−2 at a current density of 6 mA cm−2 and 35.08 F cm−2 at a scan rate of 1 mV s−1. Furthermore, the energy density reached 1.79 mWh cm−2 at a power density of 20 mW cm−2, demonstrating their high energy storage capability. Moreover, these porous Nb4N5 single crystals exhibited robust capacitance retention and exceptional cycling stability, making them promising candidates for use as electrodes in energy storage applications. These results underscore the significant potential of porous metal nitride single crystals in advancing the field of capacitive energy storage.
Ligand‐Free Zn Catalyzed Synthesis of Functionalized Indoloacridines
Authors: Sambavi Nagarajan , Nawaz Khan Fazlurrahman
Published: November 2024

An efficient, ligand‐free, and Zn‐catalyzed dehydrogenation of acridinol/ cyclization of imine product/ dehydrogenative C(sp3)‐H functionalization utilizing ChCl‐based deep eutectic solvent system for the assembly of functionalized indoloacridines 9 is reported. The protocol features mild reaction conditions, VOCs free process, broad substrate scope, and applicable gram‐scale synthesis. Furthermore, absorption and solvatochromism properties were explored for the synthesized compounds.
Synthesis of Spirocyclic‐1,2‐Benzisothiazoles by Rh(III)‐Catalyzed [4+1] Annulation of Sulfoximines with Maleimides
Authors: Kumar Anil , Reddy Sudharshan Nagabhushana , Hanchate Vinayak , Prabhu Kandikere Ramaiah
Published: November 2024

Rh(III)‐catalyzed spiro‐annulation of sulfoximines with maleimides leads to the diastereoselective synthesis of spirocyclic‐1,2‐benzisothiazole heterocycles is disclosed here. This strategy rapidly assembles five‐membered sulfur‐nitrogen‐containing spirocyclic molecules in one‐step. Moreover, the method is scalable and exhibits favourable diastereoselectivity, moderate functional group tolerance, and excellent site‐selectivity.
Assessing polyomic risk to predict Alzheimer's disease using a machine learning model
Authors: Ngai Tiffany , Willett Julian , Waqas Mohammad , Fishbein Lucas H. , Choi Younjung , Hahn Georg , Mullin Kristina , Lange Christoph , Hecker Julian , Tanzi Rudolph E. , Prokopenko Dmitry
Published: November 2024

INTRODUCTION

Alzheimer's disease (AD) is the most common form of dementia in the elderly. Given that AD neuropathology begins decades before symptoms, there is a dire need for effective screening tools for early detection of AD to facilitate early intervention.

METHODS

Here, we used tree‐based and deep learning methods to train polyomic prediction models for AD affection status and age at onset, employing genomic, proteomic, metabolomic, and drug use data from UK Biobank. We used SHAP to determine the feature's importance.

RESULTS

Our best‐performing polyomic model achieved an area under the receiver operating characteristics curve (AUROC) of 0.87. We identified GFAP and CXCL17 proteins to be the strongest predictors of AD, besides apolipoprotein E (APOE) alleles. Increasing the number of cases by including “AD‐by‐proxy” cases did not improve AD prediction.

DISCUSSION

Among the four modalities, genomics, and proteomics were the most informative modality based on AUROC (area under the receiver operating characteristic curve). Our data suggest that two blood‐based biomarkers (glial fibrillary acidic protein [GFAP] and CXCL17) may be effective for early presymptomatic prediction of AD.

Highlights

We developed a polyomic model to predict AD and age‐at‐onset using omics and medication use data from EHR.

We identified GFAP and CXCL17 proteins to be the strongest predictors of AD, besides APOE alleles.

“AD‐by‐proxy” cases, if used in training, do not improve AD prediction.

Proteomics was the most informative modality overall for affection status and AAO prediction.
Genome‐wide transcriptome analysis of Aβ deposition on PET in a Korean cohort
Authors: Park Tamina , Hwang Jiyun , Liu Shiwei , Chaudhuri Soumilee , Han Sang Won , Yi Dahyun , Byun Min Soo , Huang Yen‐Ning , Rosewood Thea , Jung Gijung , Kim Min Jeong , Ahn Hyejin , Lee Jun‐Young , Kim Yu Kyeong , Cho MinYoung , Bice Paula J. , Craft Hannah , Risacher Shannon L. , Gao Hongyu , Liu Yunlong , Kim SangYun , Park Young Ho , Lee Dong Young , Saykin Andrew J. , Nho Kwangsik
Published: November 2024

INTRODUCTION

Despite the recognized importance of including ethnic diversity in Alzheimer's disease (AD) research, substantial knowledge gaps remain, particularly in Asian populations.

METHODS

RNA sequencing was performed on blood samples from the Korean Brain Aging Study for the Early Diagnosis and Prediction of Alzheimer's Disease (KBASE) to perform differential gene expression (DGE), gene co‐expression network, gene‐set enrichment, and machine learning analyses for amyloid beta (Aβ) deposition on positron emission tomography.

RESULTS

DGE analysis identified 265 dysregulated genes associated with Aβ deposition and replicated three AD‐associated genes in an independent Korean cohort. Network analysis identified two modules related to pathways including a natural killer (NK) cell–mediated immunity. Machine learning analysis showed the classification of Aβ positivity improved with the inclusion of gene expression data.

DISCUSSION

Our results in a Korean population suggest Aβ deposition‐associated genes are enriched in NK cell–mediated immunity, providing a better understanding of AD molecular mechanisms and yielding potential diagnostic and therapeutic strategies.

Highlights

Dysregulated genes were associated with amyloid beta (Aβ) deposition on positron emission tomography in a Korean cohort.

Dysregulated genes in Alzheimer's disease were replicated in an independent Korean cohort.

Gene network modules were associated with Aβ deposition.

Natural killer (NK) cell proportion in blood was associated with Aβ deposition.

Dysregulated genes were related to a NK cell–mediated immunity.
Enhancement of Glutamate Uptake as Novel Antiseizure Approach: Preclinical Proof of Concept
Authors: Kamiński Krzysztof , Socała Katarzyna , Abram Michał , Jakubiec Marcin , Reeb Katelyn L. , Temmermand Rhea , Zagaja Mirosław , Maj Maciej , Kolasa Magdalena , Faron‐Górecka Agata , Andres‐Mach Marta , Szewczyk Aleksandra , Hameed Mustafa Q. , Fontana Andréia C. K. , Rotenberg Alexander , Kamiński Rafał M.
Published: November 2024

Objective

Excitotoxicity is a common hallmark of epilepsy and other neurological diseases associated with elevated extracellular glutamate levels. Thus, here, we studied the protective effects of (R)‐AS‐1, a positive allosteric modulator (PAM) of glutamate uptake in epilepsy models.

Methods

(R)‐AS‐1 was evaluated in a range of acute and chronic seizure models, while its adverse effect profile was assessed in a panel of standard tests in rodents. The effect of (R)‐AS‐1 on glutamate uptake was assessed in COS‐7 cells expressing the transporter. WAY 213613, a selective competitive EAAT2 inhibitor, was used to probe the reversal of the enhanced glutamate uptake in the same transporter expression system. Confocal microscopy and Western blotting analyses were used to study a potential influence of (R)‐AS‐1 on GLT‐1 expression in mice.

Results

(R)‐AS‐1 showed robust protection in a panel of animal models of seizures and epilepsy, including the maximal electroshock‐ and 6 Hz‐induced seizures, corneal kindling, mesial temporal lobe epilepsy, lamotrigine‐resistant amygdala kindling, as well as seizures induced by pilocarpine or Theiler's murine encephalomyelitis virus. Importantly, (R)‐AS‐1 displayed a favorable adverse effect profile in the rotarod, the minimal motor impairment, and the Irwin tests. (R)‐AS‐1 enhanced glutamate uptake in vitro and this effect was abolished by WAY 213613, while no influence on GLT‐1 expression in vivo was observed after repeated treatment.

Interpretation

Collectively, our results show that (R)‐AS‐1 has favorable tolerability and provides robust preclinical efficacy against seizures. Thus, allosteric enhancement of EAAT2 function could offer a novel therapeutic strategy for treatment of epilepsy and potentially other neurological disorders associated with glutamate excitotoxicity. ANN NEUROL 2025;97:344–357
Erneute Untersuchung der Baddeley Reaktion: Zugang zu funktionalisierten Decalinen durch ladungsinduzierte Alkanfunktionalisierung
Authors: Vavrík Miloš , Grant Phillip S. , Kaiser Daniel , Gruene Tim , Maulide Nuno
Published: November 2024

C−H‐Funktionalisierung rein aliphatischer Substrate ist eine herausfordernde Aufgabe, da das Fehlen von dirigierenden Gruppen Versuche zur Steuerung der Regioselektivität meist vereitelt. Dies gilt insbesondere für Difunktionalisierungsreaktionen, bei denen die Kontrolle der relativen Stereochemie eine zusätzliche Hürde darstellt. Die Baddeley‐Reaktion an Decalinen ist, trotz Einschränkungen hinsichtlich Ausbeute und Vielseitigkeit, von besonderem Interesse, da sie eine der wenigen bekannten Transformationen ist, die in der aliphatischen C−H‐Funktionalisierung Regio‐ und Stereokontrolle ermöglichen. Hier berichten wir über eine regio‐ und diastereoselektive Methode zur Difunktionalisierung von Decalin, die Zugang zu einem neuen, bisher nicht beschriebenen Regioisomer in synthetisch nützlichen Ausbeuten ermöglicht. Diese Methode wurde erfolgreich auf eine Reihe anderer Alkansubstrate angewandt, was eine unkomplizierte Synthese von Ketoalkoholen aus den einfachsten Alkanbausteinen ermöglicht.
Experimental and kinetic study on the laminar burning velocities of NH3 mixing with hydrous C2H5OH in premixed flames
Authors: Song Yindong , Liu Haocheng , Yang Xiaofeng , Cheng Xiuwei , Xiang Linfeng , Hou Ruida
Published: November 2024

In the present work, the laminar burning velocities of NH3 + hydrous C2H5OH + air flames were measured using the heat flux method at 1 atm with varied equivalence ratios and mixing ratios (with hydrous ethanol molar fractions of 45%–75%). The measurements were carried out at unburned temperatures of 358 and 378 K. The results show that the laminar burning velocities increase with the increase of hydrous ethanol mixing ratio and temperature, indicating that hydrous ethanol contributes to the combustion of NH3 flames. Based on Wang et al.'s CEU‐NH3 mechanism, sensitivity, reaction pathways, and product formation rate analyses were conducted. The results show that the addition of water reduces the laminar burning velocities of mixed fuel. Intermediate radicals such as NH and HNO are crucial for the formation of NO. After adding water, in the preheating zone, the total production rates of key species such as NH3, H, O, and OH radicals and intermediate species like NH2, NH, HNO, and N decrease, leading to a reduction in the total NO generation rate and the peak mole fraction of NO in the reaction zone.
PVA/AMPS hydrogels: Promising adsorbents for wastewater treatment with high efficiency and reusability
Authors: Yadav Paramjeet , Afgan Shere , Singh Shiwani , Prakash Ravi , Maity Pralay , Kumar Rajesh
Published: November 2024

A PVAMPS hydrogel was synthesized through chemical cross‐linking and semi‐interpenetration of Poly (vinyl Alcohol) (PVA) and 2‐Acrylamido‐2‐methyl‐1‐propanesulfonic acid (AMPS) with glutaraldehyde in distilled water. Various ratios of PVA/AMPS, namely PVAMPS‐1 (2:1), PVAMPS‐2 (1:1), and PVAMPS‐3 (1:2), were examined to understand their individual impacts on gel formation. The synthesis of hydrogels was confirmed using FT‐IR and solid‐state 13C NMR spectroscopy. The PVAMPS hydrogels demonstrated high efficiency as a selective adsorbent for removing cationic dyes, such as Methylene Blue, Safranine‐O, and Thionine, from aqueous solutions, with over 90% removal of cationic dyes observed within 18 hours. Regeneration and reusability studies revealed that even after four cycles, the adsorption capacity of the PVAMPS hydrogels remained exceptionally high, with removal rates exceeding 90% for Methylene Blue. However, for Safranine‐O and Thionine, the removal rates dropped to 20% and 23%, respectively, after four cycles. These findings underscore the promising potential of PVAMPS hydrogels for the removal of cationic dyes in wastewater treatment.
Preparation and performance of waterborne polyurethane coatings based on the intumescent flame retardant of boron, phosphorus, and nitrogen
Authors: Luo Yaofa , Jiang Ronghua , Xu Yihao , Wang Hui , Qiu Zeping , Huang Jin , Zheng Yuying
Published: November 2024

PNB organic flame retardant was synthesized using 4‐formylphenylboronic acid, 4‐aminophenylthiophenol, 9,10‐dihydro‐9‐oxa‐10‐phos‐phaphenanthrene‐10‐oxide (DOPO), and then introduced into the hydroxyl‐terminated polybutadiene acrylonitrile (HTBN) molecular chain to successfully prepare a macromolecular flame retardant, which was used to prepare flame retardant waterborne polyurethane. The mechanical properties, thermal properties, and flame retardancy of waterborne polyurethane (FR‐WPU) were studied using thermogravimetic analysis (TGA), limiting oxygen index (LOI), scanning electron microscope (SEM), cone calorimeter, and universal testing machine, respectively, and the flame retardant mechanism of macromolecular flame retardants was explored. An LOI value of 29.76% and a UL‐94 V‐0 rating could be realized when the APFBH conjugation is 7.5 wt%, showing a significant improvement of melt dripping behavior and flame retardancy. It indicated that the fire resistance of FR‐WPU remarkably improved and displayed both gas and condensed phase mechanism. As the content of APBDH increased, the tensile strength and the elongation at break of FR‐WPU increased firstly and then decreased.
Declines in Freshwater Mussels and Loss of Mussel–Invertebrate Interactions in the Subtropical Waterbodies of Dhaka, Bangladesh
Authors: Ollard Isobel , Aldridge David C. , Jannat Fatima , Chowdhury Gawsia W.
Published: November 2024

Freshwater mussels are a globally threatened taxon, but little is known about population trajectories for species outside Europe and North America. To contribute to understanding of mussel conservation status outside these regions, we surveyed mussel and other invertebrate populations in waterbodies across Dhaka, Bangladesh, to assess population trends and the role of mussels in structuring benthic communities.

We found that mussel populations in Dhanmondi Lake, our focal waterbody, have declined in density by approximately 90% between 2010 and 2023. Lamellidens marginalis declined by 90.8% from an average density of 47.9 ± SE 7.1 mussels 0.25 m−2 in 2010 to 4.4 ± SE 0.7 mussels 0.25 m−2 in 2023, while Indonaia caerulea declined by 89.4% from an average density of 6.6 ± SE 1.0 mussels 0.25 m−2 in 2010 to 0.7 ± SE 0.1 mussels 0.25 m−2 in 2023.

Previously detected associations between mussels and other invertebrate taxa, and between mussels and community composition, have been lost. Non‐mussel invertebrates have also declined significantly, with an average decrease in abundance of 27%, alongside decreases in family richness and Shannon‐Wiener diversity. These declines occurred despite apparent improvements in water quality.

Findings from other waterbodies across Dhaka also suggest the loss of mussel species including L. marginalis, I. caerulea and Parreysia corrugata from some locations, as well as the presence of the non‐native mussel Pilsbryoconcha exilis at river sites.

Our results reflect a wider, global pattern of enigmatic declines in freshwater mussels and the possible loss of associated ecosystem functioning, which may be going unnoticed in less‐studied areas including the subtropics.
Mandible composition and properties in two selected praying mantises (Insecta, Mantodea)
Authors: Roze Malo , Gorb Stanislav N. , Zeimet Timo , Krings Wencke
Published: November 2024

Insects process their food with their cuticle‐based mouthparts. These feeding structures reflect their diversity and can, in some cases, showcase adaptations in material composition, mechanical properties, and shape to suit their specific dietary preferences. To pave the way to deeply understand the interaction between mouthparts and food and to determine potential adaptations of the structures to the food, this study focuses on the mandibles of two praying mantis species. Gongylus gongylodes feeds mainly on Diptera, and Sphodromantis lineola forages on larger prey. Employing scanning electron microscopy, the mandibular morphologies were analyzed. The degree of the cuticle tanning was tested using confocal laser scanning microscopy. Furthermore, the contents of transition and alkaline earth metals in the mandible cuticle were studied using energy‐dispersive X‐ray spectroscopy and the mechanical properties tested by nanoindentation. We found that S. lineola mandibles show pronounced gradients of Young's modulus and hardness from the basis to the tip, which might be an adaptation against high stresses during biting and chewing. G. gongylodes, in contrast, did not show pronounced gradients, which may indicate that there is less stress involved in feeding—necessary to test in future studies. The mechanical properties of manidibles in both species are related to the degree of cuticle tanning but also positively correlate with the content of magnesium. These findings enrich our understanding of insect cuticle biology but also present new sets of data on praying mantis structures.
Effect of terracotta drinker and/or water addition of ASPRO‐C plus on behavior, growth, and physiological response of broiler chickens exposed to high temperature
Authors: Cyrille d’Alex Tadondjou Tchingo , Gilhoube Edmond , Djaomanwe Denis , Ledang Narcisse , Ponka Roger , Ngoula Ferdinand , Teguia Alexis
Published: November 2024

This study aimed to evaluate the effects of a terracotta drinker and/or water supplementation with ASPRO‐C Plus on the zootechnical performance of broiler chickens reared in a hot environment. A total of 160 Cobb 500 broiler chicks of 15 days old (240.2 ± 39.82 g) were divided into four treatment groups in a 2 x 2 factorial arrangement of drinker type (plastic or terracotta) and water with or without ASPRO‐C Plus (1 g/L) supplementation, each consisting of 4 replicate pens. Respiratory rate, water intake, feed intake, and live body weight were recorded weekly. At 49 days old, 12 birds per group were randomly selected, fasted for 12 h, weighed, and slaughtered for carcass evaluation and blood collection. The respiration rate of broilers decreased significantly (p < 0.01) with the terracotta drinker as compared to the plastic drinker. The water intake, the feed intake and the body weight gain increased significantly (p < 0.01) with the terracotta drinker as compared to the plastic drinker. The water addition of ASPRO‐C Plus significantly increased (p < 0.01) the relative weight of abdominal fat and spleen in broilers. The alpha‐amylase activity was significantly decreased (p < 0.01) with the water addition of ASPRO‐C Plus. The serum content of total cholesterol was significantly increased (p < 0.01) with the terracotta drinker. It can be concluded that ASPRO‐C Plus can slightly improve liveability, but using the terracotta drinker can be more efficient in reducing the behavioral response to heat stress and can improve the growth performance.
Organic BODIPY Based Gels: Optical, Electrochemical and Self‐Assembly Properties
Authors: Rao Ravulakollu Srinivasa , Rao G. Hanumantha , Venkateswararao Addanki , Nizamuddin Shaik , Narayanaswamy Kamatham , Singh Surya Prakash
Published: November 2024

Two novel BODIPY dyes, BOC3 and BC12, were synthesized with variable alkyl chains at terminal amide functional units. BC12, featuring a longer alkyl chain (−C12H25), formed a gel compared to BOC3, which has a shorter alkyl chain (< C‐>CH2OCH3), due to supra molecular self‐assembly in film. Both dyes exhibited absorption peaks around 530 nm in the visible region, with a red shift of about 30 nm in the film state, essential for organic electronic applications. Concentration variation studies revealed π‐π stacking/aggregates in the solid state causing red shifts in absorption and emission. BC12 exhibited more significant red shifts in film compared to its solution state due to supra molecular self‐assembly. Electronic structure analysis using density functional theories (BMK and O3LYP) showed better correlation with absorption using the O3LYP method. Both dyes displayed quasi‐irreversible oxidation and reduction couples with suitable HOMO (5.46 eV) and LUMO (3.32 eV) energy levels for organic electronic applications. Transient photoluminescence studies indicated a longer lifetime for BC12 (5.28 ns) than BOC3 (4.50 ns), suggesting π‐π aggregation and supra molecular self‐assembly. BC12′s gelation, attributed to its long alkyl chain and two‐dimensional motifs of the BODIPY core, forms spherical‐shaped nano networks. These findings underscore the potential of molecularly tuned dyes with alkyl chains for nano‐sized self‐assembly in organic electronic devices. Red shifts were observed due to combination of aggregation, stacking and columnar meso‐phase formation in supramolecular assembly. Absorption spectra of dyes in toluene with various concentrations showed the formation of Aggregation/π‐π stacking might be due to head to tailing interactions.
Manipulating Intramolecular Charge Transfer in Terpyridine Derivatives Towards “Turn‐On” Fluorescence Chemosensors for Zn2+
Authors: Zhao Qian , Li Lijun , Bi Dongqin , Wang Hongwei , Liu Datai , Wei Yuping , Xing Xiaojing , Yang Chunxia , Qiu Dongfang , Zhou Gang
Published: November 2024

A series of donor‐acceptor (D−A) terpyridine derivatives with various intramolecular charge transfer interactions have been successfully synthesized bearing phenyl, methoxyphenyl, N‐butyldiphenylamine (DPA), and triphenylamine (TPA) as electron‐donors and terpyridine (TPY), 2,6‐di(pyrazin‐2‐yl)pyridine (PYDPZ), and N,N‐dimethylated PYDPZ (PYDPZ‐2CH3) as electron acceptors. Upon the introduction of pyrazine rings instead of pyridine ones and further selective N,N’‐dimethylation, the intramolecular D−A interactions are significantly enhanced, resulting in the remarkable reduced intramolecular charge transfer (ICT) transitions and quenched PL emissions in CH2Cl2 solution. However, their ICT emissions are clearly recovered upon adding Zn2+. Especially, for double positively charged compound 12, the Zn2+‐induced “turn‐on” green emission (λmax, em=518 nm, Φ=0.24) with excellent sensitivity (I/I0=77) and selectivity (IZn/ICd=23) is detected. Under the optimized experimental condition (EtOH‐H2O (9 : 1, v/v), containing 0.05 M HEPES buffer (pH=7.4)), this probe is used to quantitative determination of Zn2+ in a water sample with an average recovery of 97.5 %. Furthermore, the probe is applied to imaging of Zn2+ ions in HeLa cells and its mechanism is confirmed by the molecular dynamics simulation, in which lower coulomb potential for membrane surface adsorption and energy barrier for membrane translocation can be found.
The silver lining of parental migration on left‐behind adolescents' academic well‐being in China: A systematic review
Authors: Tadesse Endale , Gao Chunhai , Khalid Sabika
Published: November 2024

The well‐being, particularly academic performance, of left‐behind children (LBC) by their migrant parents has been studied. Although extensive literature pronounces the adverse impact of parental migration on LBC's academic outcomes, a growing body of evidence has found that these children might perform equally or even better academically than non‐left‐behind children (NLBC), which inspires the present review. This innovative study has systematically reviewed previous studies to provide evidence of a silver lining for parental migration and its implications. We searched for relevant studies from reliable sources and screened them between January and April 2023, following the PRISMA guidelines. After two authors independently screened the title, abstract and full text, 11 potential studies that met the inclusion/exclusion criteria were reviewed. The results indicate that eight eligible studies found no significant difference in academic performance between LBC and NLBC, while the remaining studies showed that LBC outperformed NLBC. Additionally, the age of left‐behind children, the duration and reasons for parental migration and household remittance practices were key factors in determining the resilience of LBCs towards academic engagement and performance. The present review findings suggest that future studies need to examine the positive consequence of parental migration on LBCs' academic and nonacademic outcomes by performing rigorous and robust methodology that unfolds and provides casual relationships, which insist on feasible practical and policy effective implications.
Design, Synthesis, Anticancer Evaluation and In Silico Studies of Imidazole Pyrazine Compounds
Authors: Chen Gong , Li Weiwei , Liu Yuanhui , Li Tong , Zhu Wenrun , Liu Ying , Jin Xiaobao , Mei Qinghua , Ye Lianbao
Published: November 2024

The present study focused on design and synthesis novel imidazolopyrazine derivatives, investigate the effect of them on the proliferation and migration of several human cancer cell lines by CCK‐8 method, and interactions with the JAKs by reverse molecular docking. It was found that most of the synthesized imidazolopyrazin derivatives exhibited excellent inhibitory effects towards three tested tutor cells in vitro. Among them, three compounds have IC50 values much lower than Fluorouracil while show low toxicity to normal cells L‐02. The migration ability assay have proved that A6 and A9 effectively inhibit the migration of tumor cells. Reverse molecular docking studies indicated that the potent targets of these derivatives are JAKs as they well docked into kinases with low energy. These finding suggest that imidazo[1,5‐a]pyrazin derivatives may be lead compounds for developing potent JAK targeted anticancer candidates.
Host‐Guest Interactions Facilitated by Chalcogen Bonding within Selenadiazole Functionalised Porphyrin Nanotubes
Authors: Thomson Catriona , Sani Marc‐Antoine , White Keith F. , Abrahams Brendan F. , White Jonathan M.
Published: November 2024

The structural rigidity of tetrakis(4‐pyridyl)porphyrin (TPyP) has been utilised to prepare a robust novel porous coordination polymer of composition Cd2(TPyP)(sez)2 (TPyP=5,10,15,20‐tetra(4‐pyridyl)porphyrin, sez=1,2,5‐benzoselenadiazole‐5‐carboxylate). The coordination polymer may be described as a hexagonal porphyrin nanotube (PNT) and has the potential to bind guest molecules through chalcogen bonding. Single crystal X‐ray diffraction (SCXRD) data indicate an internal pore diameter ~9 Å which represents ~35 % of the crystal volume. Immersion of the PNTs in solvents such as DMSO and CS2 result in the incorporation of these molecules within the nanotubes with chalcogen bonding between host and guest. The crystallographic guest‐inclusion investigations are complemented by solid‐state 77Se, 13C, 113Cd and 2H NMR studies which provide insights into dynamic behaviour. The porosity of the crystals was further explored using gas adsorption experiments, indicating the reversible uptake of CO2, CH4, H2 and N2. Structure‐function relationships are clearly established from complementary crystallographic, NMR and adsorption investigations.
The use of dynamic magnetic resonance angiography in the diagnosis of rotational vertebral artery syndrome
Authors: Cheronis Chrisoula , Lin Grant L. , Silverman Andrew , Johnson Alexandra , Lee Sarah
Published: November 2024

Background

Rotational vertebral artery (VA) syndrome represents a rare mechanical vasculopathy that can lead to vertebrobasilar insufficiency and ischemic stroke.

Objective

We describe a 10‐year‐old boy with a history of chronic morning emesis who presented with acute onset dizziness, gait instability, and vomiting and was diagnosed with acute ischemic posterior circulation stroke.

Interpretation

Contrast‐enhanced magnetic resonance angiography (MRA) of the head and neck with dynamic positioning demonstrated loss of flow‐related enhancement with head tilted to the left, conferring a diagnosis of rotational VA syndrome. He started aspirin monotherapy and subsequently underwent C1 laminectomy, with both radiographic and clinical improvement on follow‐up.

Conclusion

Dynamic contrasted‐enhanced MRA imaging can serve as a noninvasive alternative to digital subtraction angiography in the diagnosis of rotational VA syndrome and should be considered in suspected cases of pediatric rotational arteriopathy.
With a Little Help from My Friends: The Role of Detergents for Energy, Efficiency, and Hygiene in Domestic Dishwashing
Authors: Bockmühl Dirk P. , Tewes Thomas J.
Published: November 2024

Domestic dishwashers have become an integral part of modern households, offering convenience and effective cleaning. However, efforts to reduce energy and water consumption have resulted in longer wash programmes, which, despite their high cleaning performance, are not well accepted by consumers due to their long durations. While these eco‐programmes are presumed to be well‐optimized in terms of their structural components, the role of detergents has been somewhat overlooked, despite their significant contribution to both the cleaning and hygiene performance of domestic dishwashers. Beyond machine parameters, the chemical composition of detergents is crucial in improving the cleaning, drying and hygiene performance of household dishwashers, as they contain various components ‐ such as surfactants, enzymes, and bleaching agents ‐ that interact with soil residues to improve cleaning effectiveness. This review will focus on recent scientific efforts to optimize programme structures concerning cycle durations and energy consumption and the role of detergents in this interrelationship between cleaning, drying and hygiene.
Illness Stigma and Shame in People With Chronic Illnesses vs. SARS‐CoV‐2 Survivors: Associations With Psychological Distress Through Psychological Flexibility and Self‐Compassion
Authors: Berglund Saga , Danielsson Anna , Jakobsson Støre Siri , Carreiras Diogo , Carvalho Sérgio A. , Blomqvist‐Storm Michaela , Pinto Helena , Palmeira Lara , Pereira Marco , Trindade Inês A.
Published: November 2024

Individuals with chronic illnesses and those infected with SARS‐CoV‐2 often face stigma, shame, and psychological distress related to their conditions. Higher psychological flexibility and self‐compassion are often associated with less stigma and shame. Examining and comparing these experiences between people with chronic illness and people who have recovered from SARS‐CoV‐2 can provide valuable insights into the shared and unique challenges they encounter. This study aimed to compare these two groups, and used structural equation modelling to investigate the links between stigma, shame, and psychological distress, with a focus on the mediating roles of psychological flexibility and self‐compassion in these associations. The study included 270 Portuguese participants (chronic illness: n = 104; SARS‐CoV‐2: n = 166), with an average age of 36.73 years and 86.6% of the sample being women. Results showed that the chronic illness subgroup reported higher levels of illness stigma, anxiety, and depression, compared to the SARS‐CoV‐2 subgroup. Findings from the mediation analysis, revealed that the model fit exceptionally well, accounting for 48% of the variance in anxiety and 45% in depression symptoms across the entire sample. Most parameters were consistent between the two subgroups, except for the association between self‐compassion and depression symptoms, which was only statistically significant in the chronic illness subgroup. In this group, both psychological flexibility and self‐compassion mediated the association between stigma and shame with symptoms of anxiety and depression. In the SARS‐CoV‐2 subgroup, these processes mediated the association with anxiety, whereas psychological flexibility only mediated depression symptoms. The findings from this study provide directions for future research on the possible development or refinement of personalized psychological interventions targeting emotional distress in adults with chronic illnesses and viral disease recovery cohorts.
Effects of GLPG3970 on Sulfasalazine and Methotrexate Pharmacokinetics in Healthy Adults: Two Open‐Label, Phase I, Drug–Drug Interaction Studies
Authors: van der Plas Mariska , Dao Justine , Zabela Volha , Gistelinck Fien , Bellaire Susan
Published: November 2024

GLPG3970 is a selective salt‐inducible kinase 2/3 inhibitor intended for the treatment of inflammatory diseases. In vitro studies suggest GLPG3970 strongly inhibits breast cancer resistance protein (BCRP), indicating a possible interaction with BCRP substrates such as sulfasalazine (SSZ; a probe substrate for intestinal BCRP inhibition) and methotrexate (MTX), both inflammatory disease medications. Two open‐label, nonrandomized, phase I, drug–drug interaction (DDI) studies assessed the pharmacokinetics of SSZ 1,000 mg (NCT04720183) and MTX 7.5 mg (EudraCT: 2020‐000391‐37) with and without GLPG3970 350 mg. Healthy participants aged 18–55 years with wild‐type homozygous BCRP genotype (c421C/C) received: SSZ on day (D)1, GLPG3970 + SSZ on D5, and GLPG3970 2 hours after SSZ on D9 (N = 8; SSZ/GLPG3970 DDI study); MTX on D1, GLPG3970 + MTX on D5, and GLPG3970 on D6–8 (N = 15; MTX/GLPG3970 DDI study). Primary end points were AUC and Cmax (“exposure”) of SSZ and its metabolite (sulfapyridine [SPD]), SPD:SSZ AUC ratio (SSZ/GLPG3970 study), and AUC and Cmax (“exposure”) of MTX (MTX/GLPG3970 study). DDIs were evaluated using the geometric mean ratio of each end point; a > 2‐fold increase in SSZ or MTX exposure was deemed clinically relevant. GLPG3970 demonstrated mild inhibition of intestinal BCRP in vivo: GLPG3970 + SSZ increased SSZ exposure ~1.7–1.8‐fold and decreased SPD:SSZ ratio ~ 2‐fold vs. SSZ alone. GLPG3970 administered 2 hours after SSZ did not change the magnitude of the interaction. GLPG3970 + MTX had no relevant effect on MTX pharmacokinetics vs. MTX alone. Therefore, the strong in vitro BCRP inhibition was not confirmed in vivo. No safety concerns were observed when GLPG3970 was coadministered with SSZ or MTX.
Genetic and genomic characterization of a multiparent advanced generation intercross (MAGIC) population of peanut (Arachis hypogaea L.)
Authors: Thompson Ethan , Wang Hui , Korani Walid , Fountain Jake C. , Culbreath Albert K. , Holbrook C. Corley , Clevenger Josh P. , Guo Baozhu
Published: November 2024

Multiparent advanced generation intercross (MAGIC) populations are a new genetic resource for high‐resolution mapping of quantitative traits and as a source of new germplasm or improved cultivars for breeding due to the high level of recombination events in the population. Here, we have developed an eight‐founder MAGIC population for peanut (Arachis hypogaea L.) (PeanutMAGIC). Eight diverse founders were intercrossed using a simple funnel mating design to ensure that the MAGIC population would possess equal representation from each founder. This was followed by advancement using small family plot and single‐seed descent, resulting in 3187 F2:7 recombinant inbred lines (RILs). The objective of this study was to introduce this PeanutMAGIC as a new resource for genetic and genomic studies. We randomly selected a smaller subset of 310 RILs (MAGIC Core) from PeanutMAGIC and conducted genotyping using whole genome sequencing and phenotyping over two growing seasons for seed and pod traits. Whole genome characterization of the MAGIC Core demonstrated that PeanutMAGIC harbors a balanced and evenly differentiated mosaic of genomic blocks from eight founders, providing unique recombination events for high‐resolution mapping of quantitative traits. Using 2‐year phenotypic data, we showed that PeanutMAGIC can improve genetic mapping power of a spectrum of qualitative, like seed coat color, to quantitative traits such as pod weight, seed weight, shelling percentage, pod constriction, and pod reticulation. These findings show that the PeanutMAGIC population can be used by the peanut research community as a new resource for genetic and genomic studies and for cultivar improvement.
Variations in endosperm structure facilitate the formation of high protein quality in tetraploid rice
Authors: Zhan Mingyue , Lv Pincang , Zhou Xiaoling , Liu Keyi , Qiu Rongjie , Wang Man , Yao Chang , Zhao Ziwei , Wu Xiaoxiao , Zhang Xianhua , He Yuchi , Cai Detian , Song Zhaojian
Published: November 2024

Rice (Oryza sativa L.) is an important food source and a primary source of high‐quality protein. Polyploid breeding is an effective approach to improving the nutritional quality of crops. Several stable tetraploid rice lines with both high seed setting rates and high protein content have been bred. In the present study, the protein quality of two tetraploid rice lines GD2‐4x and GD4‐4x with high protein content was analyzed in detail, and mechanisms associated with the high protein quality were explored from the perspective of endosperm structure. The results showed that the total protein content of GD2‐4x and GD4‐4x increased significantly by 40.27% and 35.15%, respectively, when compared to that of 9311‐2x (control). The content of each protein component also increased significantly, with a major increase being observed in glutelin content. The contents of 16 types of amino acids and total amino acids, as well as contents of nutrient limiting essential amino acids, such as lysine, threonine, and methionine, in tetraploid rice lines increased significantly when compared to those in the control. The thickness of the aleurone layer on the dorsal, lateral, and ventral positions of GD2‐4x and GD4‐4x seeds during different developmental days increased significantly when compared to that of 9311‐2x seeds. Amyloplasts were more regular and loosely arranged in GD2‐4x and GD4‐4x seeds. The tetraploid rice lines had higher total protein and amino acid contents, with glutelin accounting for the highest proportion of the increase. The tetraploid rice lines with high protein content had higher nutritional quality and value than the diploid rice line. The high protein quality of tetraploid rice lines could be associated with an increase in aleurone layer thickness, as well as changes in amyloplast morphology and distribution. This study demonstrates that polyploidization is an effective breeding approach to improving the nutritional quality and value of rice seeds. The results provide a theoretical basis for the utilization of tetraploid high protein rice lines and a reference for improving the nutritional quality of other crops.
Corporate social responsibility and energy efficiency: Empirical evidence from the manufacturing sector of India
Authors: Sahoo Baikunthanath , Sahu Santosh Kumar , Malakar Krishna
Published: November 2024

The strategic business firm manages today's profitability and tomorrow's sustainability to achieve a comparative advantage in the emerging market economy. Considering India's ambitious emission reduction target and rapid economic development, this study explores the potential relationship between corporate social responsibility (CSR) and the energy efficiency of manufacturing firms in India. Using firm‐level data, the panel fixed effects model shows that CSR negatively explains energy intensity (EI). We observed a consistent negative relationship between CSR and EI for all models, with and without controlled firm‐specific variables. Firms that manufacture chemical and chemical products, pharmaceuticals, medical chemicals and botanical products are energy intensive without CSR; however, CSR activities helped these firms become energy efficient. Our result confirms that voluntary CSR is less efficient than mandatory CSR in contributing to environmental and energy‐related indicators at the firm level. Our empirical results indicate several policy implications: (1) CSR should also focus on sustainable business models related to energy efficiency and reduction in carbon emissions; (2) firms should be encouraged to use CSR related to environmentally friendly innovations. We conclude that CSR spending and environmental expenses will increase energy efficiency at the firm level, which will help achieve net‐zero targets and sustainable industrial development.
Local directors and corporate social responsibility activities of multinational companies in Africa
Authors: Tawiah Vincent , Samson Nyahas , Jatau Ulan
Published: November 2024

Many multinational companies (MNCs) in Africa claim to support the continent's sustainable development through corporate social responsibility (CSR) initiatives. However, the timing and relevance of these projects to local communities have often been questioned. Little is known about how local directors shape the sustainability activities of MNCs in their host regions. Drawing on image motivation theory, we investigated the influence of local directors on MNCs' sustainability activities in Nigeria, an emerging economy. We conducted content analyses and a series of semi‐structured interviews with local directors in MNCs. Consistent with our expectations and stakeholder theory, we find that local directors significantly drive the consistent and continuous sustainable development activities of MNCs through CSR in their host communities. Many local directors indicated that, unlike the traditional approach of MNCs consulting with local leaders, being a director provides the opportunity to understand the firms' activities and advocate for appropriate projects for the host region. The presence of local directors helps bridge the expectation gap between MNCs and the host region. Our study provides evidence of the relevance of local individuals in the directorship of MNCs and their contribution to sustainable development in Africa.
Sustainability accounting research over three decades: A scientometric meta‐analysis
Authors: Singhania Monica , Chadha Gurmani , Anisha
Published: November 2024

As organizations worldwide face increasing pressure to integrate sustainability into their core principles, the need for robust sustainability accounting practices has never been more crucial. This study takes on the challenge by mapping out the intellectual structure of sustainability accounting research domain. Using a mix of scientometric analysis of 1702 articles and in‐depth content analysis of 122 key works spanning more than 30 years from 1991 to 2024, the study unveils the past, present, and future of this vital field. Intricate domain visualizations were created utilizing CiteSpace software revealing networks of co‐authorship, keywords, subject categories, institutions, and countries committed to research on sustainability accounting, including co‐citation and cluster analysis. Results revealed research production concentrated in developed nations, highlighting the urgency for increased focus on this topic within developing and emerging countries. The network structure indicated a scarcity of global collaboration particularly at the company level. The central themes of sustainability accounting, identified through cluster analysis and examination of highly co‐cited documents, encompass sustainability management accounting, life cycle assessment, carbon accounting, national accounts, climate policy, and ecosystem accounting, playing a significant role in shaping its landscape and ongoing evolution. Six relevant emerging themes were identified from in‐depth content analysis of recent literature in the management domain, comprising the role of accountants in mitigating climate risk, rethinking accounting for planetary boundaries, biodiversity loss and extinction accounting, sustainability assurance, technological advancements, and other miscellaneous themes. This study carries significant implications for a diverse array of stakeholders, including policymakers, organizations, society, and academics.
A Robust Low‐Power Power‐On‐Reset Circuit With Dual Threshold Method
Authors: He Luchang , Xie Chenchen , Wu Qingyu , Xu Liping , Chen Houpeng , Li Xi , Song Zhitang
Published: November 2024

In this paper, a robust low‐power power‐on‐reset (POR) circuit with dual threshold method is proposed. The current‐based circuit exhibits good robustness with respect to process, voltage, temperature, and supply ramp variations. In contrast to conventional delay‐based pulse generation approaches, a dual threshold method is introduced to generate POR and brown‐out‐reset (BOR) pulse signals, resulting in ultralow quiescent current and a compact area. Implemented in the 55‐nm CMOS process, the proposed circuit achieves an accurate trigger‐point voltage with a temperature coefficient of 90.4 ppm/°C and a deviation to the ramp time of 2.9% for a range from 100 μs to 1 s. Furthermore, the quiescent current and active area are 0.3 nA and 4834 μm2, respectively, making it particularly suitable for energy harvesting systems.