bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel Fe (III), Cu (II), and Zn (II) Chelates of Organoselenium‐Based Schiff Base: Design, Synthesis, Characterization, DFT, Anticancer, Antimicrobial, and Antioxidant Investigations
Authors: Shaaban Saad , Abu‐Dief Ahmed M. , Alaasar Mohamed , Al‐Janabi Ahmed S. M. , Alsadun Norah S. , Al Duaij Omar K. , Yousef Tarek A.
Published: October 2024

Novel three metal complexes were synthesized starting from the selenated Schiff base 2‐(((4‐(benzylselanyl)phenyl)imino)methyl)‐5‐nitrophenol (BnSeOH) ligand. Elements, spectral data, magnetic moment, molar conductance, and thermal gravimetric investigations were used to confirm their structures, as well as X‐ray diffraction, IR, NMR, and MS spectroscopic techniques. Octahedral geometry was proposed for the Fe (III), Cu (II), and Zn (II) complexes. The anticancer and antimicrobial activities were assessed against various mammalian cells and pathogenic strains. Within this context, the Fe (III) complex and BnSeOH ligand were the most cytotoxic, and their toxicity was more pronounced in the case of HepG2 cells. Likewise, the Fe (III) complex and BnSeOH ligand showed good antimicrobial activity against Candida Albicans, Bacillus subtilis, and Pseudomonas aeruginosa pathogens. Furthermore, the antioxidant properties were also estimated using DPPH and SOD bioassays. Computational analysis revealed the ligand exhibits lower reactivity relative to its metal complexes based on the ΔE gap and η values representing energy gap and hardness. The parameters examined in this study provide valuable insight into the bonding, electronic properties, reactivity, and polarity of the compounds under investigation. The pharmacological and computational findings point to promising activities of complexes.
BaS:MnS:Sb2S5 Mixed Metal Chalcogenide Cubes: Synthesis, Characterization, and Exploring Energy Storage and Production Potential
Authors: Ahmad Khuram Shahzad , Jaffri Shaan Bibi , Al‐Hawadi Jehad S. , Panchal Harsh , Gupta Ram K. , Ashraf Ghulam Abbas , Abdel‐Maksoud Mostafa A. , Al‐Qahtani Wahidah H.
Published: October 2024

Energy‐efficient semiconducting BaS:MnS:Sb2S5 has been synthesized using a single source precursor method. The resulting dithiocarbamate metallic sulfide has an average crystallite size of 17.77 nm and a small band gap of 3.82 eV. A functional group investigation revealed the presence of several bonds, including the metal sulfide bond. This sulfide exhibited a double‐step thermal breakdown pattern. BaS:MnS:Sb2S5 particles were formed like cubes and tended to form cube‐like formations. The electrochemical charge‐storing behavior of BaS:MnS:Sb2S5 was investigated using a nickel foam electrode and a sulfide slurry. The fabricated electrode demonstrated a satisfactory capacity for charge storage, with a specific capacitance of 762.83 F g−1. This indicates a substantial amount of potential for long‐term energy storage utilizing electrodes. This electrode has a specific power density of 9084.78 W kg−1 and a low series resistance of (Rs) = 0.71 Ω, as per impedance measurements. Electro‐catalysis produced an OER overpotential and a corresponding Tafel slope of 233 mV and 157 mV/dec from the electrode. Conversely, for HER activity, the obtained overpotential and subsequent Tafel slope were 386 mV and 73 mV dec−1, respectively.
Evaluating the Presence of Interspecific Hybrids Among Piaractus mesopotamicus, Piaractus brachypomus and Colossoma macropomum in the Upper Paraná River Using Genetic Markers
Authors: Cavalcanti Lidiany Doreto , Lima Lara Darice , Carrijo‐Mauad Juliana Rosa , Russo Márcia Regina , de Oliveira Alessandra Valéria , Takemoto Ricardo Massato
Published: October 2024

Fish hybridization is common in aquaculture worldwide, including in Brazil, with cross‐breeding between species of the genera Piaractus and Colossoma taking the lead. However, little is known about the genetic damage caused by hybrids that escape into natural environments. In the upper Paraná River region, hybrid fishes are overproduced; therefore, the use of molecular techniques for their monitoring and identification is necessary. This study aimed to detect the presence of possible hybridization between Piaractus and Colossoma in the upper Paraná River using the molecular markers cytochrome c oxidase subunit 1 (COI) and α‐tropomyosin (TROP). Fragments from 53 fish samples were analysed, and 41 samples were considered hybrids, with 12 confirmed pure, six as Piaractus mesopotamicus (pacu) and six as Piaractus brachypomus (pirapitinga). This is the first record of P. brachypomus, which is an invasive species in this basin, while Colossoma macropomum has not been observed. Molecular markers efficiently detected hybrids in the Ivinhema and Paraná rivers. The results showed a predominance of hybrid specimens from P. mesopotamicus × P. brachypomus. Our study suggests that more restrictions on hybridization and better supervision of fish farms are needed to prevent the escape of hybrids and the consequent ecological and genetic damage to native populations. We warn of the risk of a decline in the population of P. mesopotamicus, as this species is of great importance for fishing and maintaining the ecosystem.
Hydrogen Sulfide (H2S) Activatable Photodynamic Therapy Against Colon Cancer by Tunable FRET Effect
Authors: Zhu Mengting , Huang Baoxuan , Yang Guoliang , Zhang Weian , Tian Jia
Published: October 2024

Developing activatable photodynamic agents is becoming a promising mode for realizing selective photodynamic therapy (PDT) in cancer treatment. However, till now only a few H2S‐activatable photodynamic agents have been involved in this field. Here, we fabricated H2S‐activatable nano‐assemblies (P@TPPCY) for the treatment of colon cancer containing high concentration H2S. The H2S‐activatable photosensitizer (TPPCY) was synthesized by covalent conjugation between tetraphenylporphyrin (TPP) and heptamethine cyanine (Cy7), and then TPPCY was encapsulated by an amphiphilic polymer DSPE‐mPEG to form P@TPPCY nano‐assemblies. We demonstrated that the photosensitizing effect of TPP was efficiently quenched by Cy7 with strong absorption in the NIR region via fluorescence resonance energy transfer (FRET) effect. Interestingly, the FRET effect between Cy7 and TPP was attenuated by the decrease of absorption of Cy7 in the NIR region after the Cy7 reacted with H2S, and then the photosensitizing effect of TPP in P@TPPCY was activated. Strikingly, the P@TPPCY showed efficient H2S‐activatable photodynamic therapy (PDT) in vitro against HCT116 cells (human colon carcinoma cell line), thus this work provides a new method for realizing accurate treatment of colon cancer in virtue of high H2S concentration microenvironment.
Repeated conventional flushing to improve water quality in a full‐scale distribution system
Authors: Vedrin Matthew , Eisenberg Joseph N. S. , Page Sarah , Lahr Rebecca , Steglitz Brian , Hardin Rebecca , Raskin Lutgarde
Published: October 2024

One of the primary ways utilities prevent and address water quality concerns in distribution systems is via regular hydrant flushing, yet rigorous research to evaluate the impact of full‐scale flushing programs is limited. This study employed time‐series and correlation analyses to evaluate the efficacy of a utility's five‐month repeated conventional flushing program to reduce nitrification and improve disinfectant residual concentrations in the distribution system. Short‐term water quality improvements during flushes were common across the 16 locations flushed, but lasting improvements were inconsistent as demonstrated by continued nitrification and heterogeneous water quality changes. Flushing frequencies and flow rates may need to be tailored to individual sites, even when similar water quality challenges exist. Water quality monitoring data and related analyses helped to prioritize flush sites, maximize efficiency during and between flushes, and inform decisions to implement additional interventions.
Optimierung des Trittschallschutzes von Holzbalkendecken in Gründerzeithäusern – Teil 2: Deckenaufbau und Flankenübertragung
Authors: Neusser Maximilian , Wegerer Paul
Published: October 2024

Die Forschungsarbeit behandelt den Einfluss verschiedener Parameter im Deckenaufbau wie Hohlraumbedämpfung, Estrichdicke, Trittschalldämmung, Schüttung und abgehängte Unterdecken auf den Norm‐Trittschallpegel typischer Gründerzeit‐Holzbalkendecken. Die Messungen zeigen, dass ein dickerer Estrich, eine weichere Trittschalldämmung sowie eine schwerere Schüttung den Trittschallpegel deutlich verbessern. Die Bindung der Schüttung mit Polyurethan anstatt Zement bringt eine erhebliche Verbesserung im Frequenzbereich von 100 Hz bis 500 Hz. Während die Hohlraumbedämpfung durch Mineralwolle nur begrenzt zur Reduktion des Norm‐Trittschallpegels beiträgt, liefert die Entkopplung der Schüttung auf einer elastischen Zwischenschicht signifikante Verbesserungen. Die Messungen zeigen weiters, dass die Dicke der Beplankung und der Typ der Abhänger bei Unterdecken wesentliche Auswirkungen auf die Trittschalldämmung haben. Die Untersuchungen zur Flankentrittschallübertragung verdeutlichen, dass bei der Planung höherer Anforderungsniveaus die Flankenübertragung unbedingt berücksichtigt werden muss. Besonders im Frequenzbereich zwischen 250 Hz und 800 Hz kann die Schallübertragung flankierender Bauteile eine bedeutende Rolle für die Gesamtübertragung spielen.
Investigating the Reduction of Fluoroethylene Carbonate and Vinylene Carbonate in Lithium‐Ion Cells with Silicon‐Graphite Anodes
Authors: Stockhausen Richard , Gehrlein Lydia , Bergfeldt Thomas , Hofmann Andreas , Janina Müller Freya , Maibach Julia , Hofmann Katarzyna , Gordon Ronald , Smith Anna
Published: October 2024

The electrolyte additives fluoroethylene carbonate (FEC) and vinylene carbonate (VC) improve the lifetime of lithium‐ion batteries with silicon‐containing anodes by their reduction yielding a more stable solid electrolyte interphase (SEI). However, the reductive decomposition mechanism of FEC and VC has not yet been fully clarified. For this purpose, we investigate the electrolyte decomposition in LiNi0.6Co0.2Mn0.2O2 (NCM622)/silicon‐graphite pouch cells containing either 1 M LiPF6 in FEC:dimethyl carbonate (DMC) or 1 M LiPF6 in VC:DMC using high‐performance liquid chromatography, gas chromatography, X‐ray photoelectron spectroscopy, and inductively coupled plasma optical emission spectrometry. Based on the molar consumptions of FEC and VC, and the cumulative irreversible capacities, we show that three electrons are consumed for every reduced FEC molecule, and that one electron is consumed for every reduced VC molecule. Based on the results, reactions of the FEC reduction are proposed yielding LiF, Li2CO3, Li2C2O4, HCO2Li, and a PEO‐type polymer. Furthermore, the reaction of the VC reduction is proposed yielding lithium‐containing, polymerized VC. During formation, the capacity loss of the cells is induced by lithium trapping in LixSiy/LixSiOy under the SEI and by lithium trapping in the SEI. During subsequent cycling, only lithium trapping in the SEI triggers the capacity loss.
Screening immunomodulatory Q‐markers in Astragali Radix based on UHPLC‐QTOF‐MS analysis and spectrum–effect relationship
Authors: Chen Qin , Chen Ping , Bi Chunmei , Shen Xue , Guo Lirong , Jiang Yihan , Liu Yanan , Wu Yangyang , Li Yimeng , Wu Zhengrong , Zhu Xujiang , Song Pingshun , Yang Pingrong , Zhang Yawen , Yang Zhigang
Published: October 2024

Astragali Radix (AR) is one of the famous traditional Chinese medicines (TCMs) for boosting immunity, whereas the quality markers (Q‐markers) of AR have not been clearly researched. The immunomodulatory activities of the bioactive extractions and components were evaluated by NO inhibition rate; phagocytic index; IL‐10, TNF‐α, IL‐1β, and IL‐6 cytokines in RAW264.7 cells; and the relative proliferation rate of spleen cells. The total saponins (TS) and the grade 2 (Xiaoxuan, XX) of AR showed the strongest immunomodulatory activities. At the concentration of 40 μg/mL, the TS increased spleen cells proliferation by 48.0% and upregulated the level of IL‐1β and IL‐6. Cytokines in the XX‐treated group were at least 1.6 times higher than the control group. A total of 190 common peaks were detected in AR by ultrahigh‐performance liquid chromatography coupled with quadrupole‐time‐of‐flight mass spectrometry (UHPLC‐QTOF‐MS). The multivariate statistical analyses revealed that 41 compounds were positively correlated with immune responses, and bioactive compounds were verified by using RAW264.7 cell assay. Subsequently, the contents of six compounds in different commercial grades were determined, and the results showed the same trend in contents and activities. Finally, calycosin‐7‐O‐β‐D‐glucoside, astragaloside IV, astragaloside II, astragaloside I, isomucronulatol‐7‐O‐glucoside, and 9,10‐dimethoxypterocarpan‐3‐O‐glucoside were screened out as immunomodulatory Q‐markers of AR.
Major overseas customers and corporate decoupling of environmental responsibility: Evidence from China
Authors: Chen Huangyue , Zhao Yang
Published: October 2024

In this study, we examine firms' decoupling of how they communicate about environmental responsibility and what they actually do in terms of environmental responsibility. We argue that this decoupling is driven by their trade relations with major overseas customers. Specifically, we propose that major overseas customers increase the likelihood of corporate environmental decoupling. We test our argument in a sample of Chinese industrial firms for the period 2007–2012. We find that the higher the proportion of sales to major overseas customers, the more likely supplier firms are to decouple environmental responsibility, that is, to obtain ISO 14001 environmental management system certification but not significantly reduce their pollution emissions. Heterogeneity analyses show that the impact of major overseas customers is more significant when these customers are larger, when the customers are located in Western developed countries, when the economic relationship between supplier firms and major overseas customers is more important to supplier firms, when supplier firms are more short‐sighted, and when supplier firms are in more competitive product markets. Our findings advance research on corporate environmental management and on corporate major customers by providing large‐scale empirical evidence of the drivers of the decoupling of corporate environmental responsibility and the impact of major customers on corporate environmental behavior.
Formation of the interatrial septum: Insights obtained from cardiac computed tomographic angiography
Authors: Tahara Atsuko , Motoyama Sadako , Malik Shaista , Tahara Nobuhiro , Imaizumi Tsutomu , Saremi Farhood , Sanz Javier , Seto Arnold , Narula Jagat , Krishnan Subramaniam C.
Published: October 2024

We previously described a septal variant termed left atrial septal pouch (LASP). Present in a third of hearts, it results from incomplete fusion of the septum primum (SP) and septum secundum (SS). We assessed the prevalence of LASP using 64‐section multidetector computed tomography and further characterized the different variants. Among 864 scans, 770 were of sufficient quality for assessment (428 male, aged 59.2 ± 11.7 years). They were classified on the basis of the degrees of fusion of the SP and SS into a completely fused septum (CFS), patent foramen ovale (PFO), or LASP. The lengths of the SS, SP, and overlapping SP, the maximal length of the foramen ovale (FO) floor, and the atrial dimensions were compared. A PFO was seen in 181 patients (23.5%), a LASP in 242 (31.4%), and a CFS in 339 (44.0%). There were significant differences in the length of the SS (PFO—13.6 ± 4.3 mm, LASP—17.6 ± 4.8 mm, CFS—14.3 ± 7.7 mm, p < 0.001). Hearts with LASPs had a longer overlapping SP than those with PFOs (PFO—6.3 ± 4.5 mm, LASP—13.1 ± 5.2 mm, p < 0.001). The maximal lengths of the FO floor showed differences in short axis (SAX) view (PFO—21.7 ± 4.5 mm, LASP—15.3 ± 4.3 mm, CFS—16.3 ± 4.3 mm, p < 0.001). Hearts with PFO and LASP showed similar SP lengths (27.3 ± 6.6 mm vs. 26.4 ± 6.6 mm, p = 0.10). There was a positive linear correlation between the length of the SS and the overlapping SP (R2 = 0.28, p < 0.001) with a weaker negative correlation between the SS length and maximal length of the FO floor (R2 = 0.02, p < 0.001). The groups showed similar atrial dimensions and volumes. Present in a third of patients, hearts with LASP have longer SS and overlapping SP.
Impact of metallic nanoparticles on gut microbiota modulation in colorectal cancer: A review
Authors: Kumar Akash , Pramanik Jhilam , Batta Kajol , Bamal Pooja , Gaur Mukesh , Rustagi Sarvesh , Prajapati Bhupendra G. , Bhattacharya Sankha
Published: October 2024

Colorectal cancer (CRC) is the third most prevalent cancer. Ongoing research aims to uncover the causes of CRC, with a growing focus on the role of gut microbiota (GM) in carcinogenesis. The GM influences CRC development, progression, treatment efficacy, and therapeutic toxicities. For example, Fusobacterium nucleatum and Escherichia coli can regulate microbial gene expression through the incorporation of human small noncode RNA and potentially contribute to cancer progression. Metallic nanoparticles (MNPs) have both negative and positive impacts on GM, depending on their type. Several studies state that titanium dioxide may increase the diversity, richness, and abundance of probiotics bacteria, whereas other studies demonstrate dose‐dependent GM dysbiosis. The MNPs offer cytotoxicity through the modulation of MAPK signaling pathways, NF‐kB signaling pathways, PI3K/Akt signaling pathways, extrinsic signaling pathways, intrinsic apoptosis, and cell cycle arrest at G1, G2, or M phase. MNPs enhance drug delivery, enable targeted therapy, and may restore GM. However, there is a need to conduct well‐designed clinical trials to assess the toxicity, safety, and effectiveness of MNPs‐based CRC therapies.
Study on the Desalination and Regeneration Performance of PBA/AC Electrode Enhanced by MCDI
Authors: Wang Xiaobing , Song Xingliang , Jiang Xiaoxue , Jin An , Li Dong , Gu Junfeng , Wang Lu
Published: October 2024

The research focuses on desalting and regenerating wastewater using membrane capacitive deionization (MCDI) systems with Prussian blue analog and activated carbon electrodes in batch experiments. The experimental results show that the optimized operational parameters for achieving superior deionization regeneration performance in membrane capacitors comprise a voltage magnitude of −1.6 V, a desorption flow rate of 30 mL min−1, and an electrode regeneration duration of 25 min. The MCDI system achieves a desorption amount of 45.87 mg g−1, a remarkable regeneration rate of 99.23 % under the optimized operating conditions. The MCDI system demonstrates a desorption amount and regeneration rate that are 22.56 mg g−1 and 17.47 % higher, respectively, compared to the traditional capacitive deionization system.
Pd‐Catalyzed Thiotritylation Cross‐Coupling of Aryl Bromides and Iodides to Access Sulfur Functional Groups
Authors: Liu Yue , Okazoe Takashi , Gatzenmeier Tim , Nozaki Kyoko
Published: October 2024

Sulfur‐containing functional groups (SFGs) are increasingly important for modern medicinal chemistry and their large structural diversity provides many opportunities for lead optimization. In an effort to simplify the access to the full set of SFGs, we report herein a versatile strategy utilizing (hetero)aryl trityl sulfides (ArSCPh3) as the common precursors. We developed a mild and high yielding Pd‐catalyzed thiotritylation cross‐coupling methodology to afford ArSCPh3 compounds from (hetero)aryl bromides and iodides. Efficient chemoselective derivatizations provided access to eight different SFGs and sulfur(VI) fluorine exchange (SuFEx) hubs, which open up further downstream derivatizations towards the full set of SFGs. Thereby obtainable sulfur motifs include aryl sulfur pentafluorides (ArSF5), aryl tetrafluoro‐λ6‐sulfanyl chlorides (ArSF4Cl), aryl sulfonimidoyl fluorides (ArS(O)(NR)F), aryl sulfonyl fluorides (ArSO2F), aryl sulfonic acids (ArSO3H), and aryl sulfinyl fluorides (ArSOF), which are all valuable functional groups in modern drug discovery.
Total Synthesis of the Humulene‐Derived Sesquiterpenoid (‐)‐Integrifolian‐1,5‐dione
Authors: Zimmer Anne , Fürstner Alois
Published: October 2024

The oxygenated sesquiterpenoid (‐)‐integrifolian‐1,5‐dione, which originates from a plant that finds widespread use in South American traditional medicine, is distinguished by a rigid bicyclic framework consisting of a cyclopropane that is cis‐annulated to a cyclodecane ring. The first total synthesis of this demanding target is described, which relies on a highly selective cyclopropanation reaction of an α‐stannylated‐α‐diazoester catalyzed by a heteroleptic dirhodium paddlewheel complex, followed by an unprecedented Stille‐type cross coupling of the resulting stannylated cyclopropane with methyl iodide as the electrophilic partner to form the all‐carbon quaternary stereocenter at one of the bridgehead positions. Equally decisive was the bicyclization strategy based on lactonization/ring expansion that ultimately allowed the strained ten‐membered carbocycle to be forged.
Neurochemical Characterization of Dopaminoceptive Cells in Song Control Nuclei of Canaries and Their Activation During Song Production: A Multiplex Fluorescent In Situ Hybridization Study
Authors: Haakenson Chelsea M. , Balthazart Jacques , VanRyzin Jonathan W. , Marquardt Ashley E. , Ashton Sydney E. , McCarthy Margaret M. , Ball Gregory F.
Published: October 2024

Highly sensitive in situ hybridization procedures (RNAScope) were used to quantify the expression of three dopamine receptors (Drd1, Drd2, and Drd3) in two song control nuclei (HVC and the Area X of the basal ganglia) that are known to receive dopaminergic inputs and in the periaqueductal gray (PAG) of male and female canaries. Both sexes were treated with testosterone to ensure they would sing actively. We also determined the excitatory versus inhibitory phenotype of the cells expressing these receptors as well as their activation following a period of song production. The three receptor types were identified in each brain area, with the exception of Drd3 in Area X. The density of cells expressing each receptor varied as a function of receptor type and brain area. Surprisingly few sex differences were detected; they do not seem to explain the sex differences in testosterone‐induced song. Overall, the density of Drd‐positive cells was much lower in PAG than in the two song control nuclei. In HVC, the majority of cells expressing the three receptor subtypes were VGlut2‐positive, whereas colocalization with Vglut2 occurred in few cells in Area X and in an intermediate proportion of cells in PAG. The number of inhibitory cells expressing dopamine receptors was limited. Most dopaminoceptive cells in Area X did not express either excitatory or inhibitory markers. Finally, cellular activation during singing behavior, as measured by the expression of Egr1, was observed in cells expressing each of the three dopamine receptor subtypes, except Drd3 in the PAG.
A competent CCHFMO with AMDH for QoS improvisation and efficient route protection in MANET
Authors: Ahirwar Gajendra Kumar , Agarwal Ratish , Pandey Anjana
Published: October 2024

The ability of mobile ad hoc networks (MANET) to be used as communication tools in a variety of industries, including healthcare, the military, smart traffic, and smart cities, has drawn special consideration. Traditional Manet's multicast routing methods seem to be inappropriate to massive with Adaptive systems because the problem is NP‐complete, resulting in an enchanting QoS restrictions. In order to conquer that the paper proficiently introduces the Conglomerate Crumb Horde Formicary Meta‐Heuristic (CCHFMO) with Asymmetrical Meander Diffie‐Hellman (AMDH) to tackle the major obstacles are multicast routing problems and lack of data protection. Initially, the fusion of crumb horde optimization (CHO) and formicary optimization (FO) is exploited to strengthen QoS limitations and reduce QoS data loss. However, the massive and dynamic nature of the network with the combination of more QoS restrictions, deficient security has become extremely difficult. Therefore, the research work establishes the asymmetrical meander Diffie‐Hellman (AMDH) to significantly improve performance and concealment while ensuring channel security during data transfer. Finally, the results demonstrated that by employing the novel optimization approaches, the MANET can increase data protection while still achieving high transmission rates and sophistication of communication. As a consequence, it adequately explicates the article to improve QoS performances.
Assessment of Edge Modification of Nanographene
Authors: Sekiya Ryo , Haino Takeharu
Published: October 2024

Carboxy groups on the edges of nanographene (NG) enable functionalization for realizing NG‐organic hybrid materials. Therefore, assessment of the edge‐functionalization of the electronic structures of NGs is valuable for the rational design of functional carbon materials. In this study, the structures of model NGs comprising 174 carbon atoms with armchair edges and various functional groups at the edges were computed. To achieve the greatest possible similarity between the computed structure and the real one, the carbon framework was designed based on experimental observations. The functional groups can be accessed via suitable chemical reactions. The computations predicted that although the conversion of carboxyl groups with electron‐withdrawing/donating groups influences the orbital energies, the HOMO‐LUMO (H−L) gap is not significantly affected, except in a few cases. Among the evaluated examples, π‐extension had the greatest influence on the H−L gap. Interestingly, for the Pd2+‐coordinated NG, the participation of the low‐lying LUMO localized on Pd2+ in the surface‐to‐metal transitions seemingly narrowed the H−L gap, and a surface‐to‐ligand transition was observed.
Rational Design Dithieno[3,2‐f:2′,3′‐h]Quinoxaline‐Based Polymers with Optimized Molecular Configuration and Charge Transfer for High‐Performance All‐Polymer Solar Cells
Authors: Kang Xiao , Jing Xin , Wang Jianxiao , Li Hongxiang , Sun Mingliang , Bao Xichang
Published: October 2024

Due to poor planarity and weak intermolecular interactions of acceptor units which have two‐dimensional configuration, the development of related polymers is slow. In this work, we synthesized a dithieno[3,2‐f:2’,3’‐h]quinoxaline‐based unit substituted with fluorinated thiophene, which can effectively expand the area of the acceptor unit. Then, it paired with three different benzodithiophene‐based donor units, and three new polymers of PQTF‐BT, PQTF‐BTCl and PQTF‐DTCl were obtained. PQTF‐BT with thiophene side chain exhibits appropriate aggregation and crystallization performance, and the PQTF‐BT:PY‐IT all‐polymer solar cells exhibit high device efficiency of 15.54 %. Meanwhile, PQTF‐BTCl with chlorination strategy on thiophene side chain further enhances the open‐circuit voltage of related devices. However, it has negative impact on the miscibility and charge transfer of the material, leading to a poor efficiency of 8.71 % in the PQTF‐BTCl:PY‐IT device. To reinforce miscibility, PQTF‐DTCl with expanded backbone planarity was further studied. However, the big dihedral angles of the donor side chains disrupted the effective stacking of the molecules, resulting in great recovery of device performance to 13.42 %. This work provides research ideas for the design of polymers with two‐dimensional configuration side chain and match selection of donor units.
Green Rate‐Splitting Multiple Access for Multicell and Rate Fairness Maximization
Authors: Hu Guangwu , Kumari Saru , Amoon Mohammed , Chen Chien‐Ming
Published: October 2024

This paper investigates the green design of rate‐splitting multiple access (RSMA) for multicell, multiantenna downlink communication systems to maximize rate fairness under quality of service (QoS) constraints. An optimization framework is developed to minimize the weighted sum power consumption by jointly optimizing transmit beamformers, power allocation, and common/private rate split while ensuring per‐user minimum rate requirements. The algorithm design explicitly considers the rate fairness among users via a newly proposed green fairness index. The nonconvex transceiver design problems are transformed into tractable forms and efficiently solved by applying tools from alternating optimization and successive convex approximation. Extensive simulations demonstrate that the proposed green RSMA optimization framework can effectively balance the throughput among cell‐edge and cell‐center users, hence combating the near‐far effect. Simulation results show that at 20‐dB SNR, green RSMA achieves over 20% and 50% sum rate improvement compared with NOMA and OMA, respectively. Moreover, green RSMA maintains high fairness among users, even when the channel conditions are disparate. When the weakest user is located 120 m from the base station, green RSMA exhibits a 21.2% higher fairness index than NOMA, showcasing its ability to ensure equitable service quality across users. The framework also achieves substantial energy efficiency gains, consuming less power while providing higher data rates than baseline schemes. These results demonstrate the effectiveness of green RSMA in enhancing spectral efficiency, user fairness, and energy efficiency in multicell, multiantenna communication systems, making it a promising solution for sustainable and high‐performance wireless networks.
Ethical principles for ecology and environmental ethics: What ecology can learn about applied ethics from biomedical ethics
Authors: Spike Elizabeth , Spike Jeffrey P.
Published: October 2024

This article uses a familiar and successful framework to organize and systematize the ethics of ecology and environmental science. Mid‐level principles have helped make the field of bioethics well understood and enabled it to influence laws, policies, and clinical decision‐making. We propose that a new set of principles could do the same for the larger field of environmental ethics. As was true with bioethics, the principles chosen need to already be well‐established. The insight is that to offer a complete analysis of a case or situation one must consider all of the principles. Thus one must choose a small set of mutually exclusive and jointly exhaustive principles. While there are thousands of articles using each of our principles, no one has identified them as a set of principles that can be easily taught and used to resolve dilemmas. Thus this article can help advance ecological and environmental ethics. Each of the four principles is briefly defined, and a little of their history and some current examples provided for each. The principles are: The Precautionary Principle, Biodiversity, Environmental Justice, and Sustainability. As a group they represent a complete picture of the ethical territory we must deal with in every value‐laden choice, clarifying why disagreements happen and what is at stake when trade‐offs must be made.
Gut microbiota‐related modulation of immune mechanisms in post‐infarction remodelling and heart failure
Authors: Roessler Johann , Zimmermann Friederike , Heidecker Bettina , Landmesser Ulf , Haghikia Arash
Published: October 2024

The immune system has long been recognized as a key driver in the progression of heart failure (HF). However, clinical trials targeting immune effectors have consistently failed to improve patient outcome across different HF aetiologies. The activation of the immune system in HF is complex, involving a broad network of pro‐inflammatory and immune‐modulating components, which complicates the identification of specific immune pathways suitable for therapeutic targeting. Increasing attention has been devoted to identifying gut microbial pathways that affect cardiac remodelling and metabolism and, thereby impacting the development of HF. In particular, gut microbiota‐derived metabolites, absorbed by the host and transported to the peripheral circulation, can act as signalling molecules, influencing metabolism and immune homeostasis. Recent reports suggest that the gut microbiota plays a crucial role in modulating immune processes involved in HF. Here, we summarize recent advances in understanding the contributory role of gut microbiota in (auto‐)immune pathways that critically determine the progression or alleviation of HF. We also thoroughly discuss potential gut microbiota‐based intervention strategies to treat or decelerate HF progression.
Pain profiles and variability in temporal summation of pain and conditioned pain modulation in pain‐free individuals and patients with low back pain, osteoarthritis, and fibromyalgia
Authors: Petersen Kristian Kjær‐Staal , O'Neill Søren , Blichfeldt‐Eckhardt Morten Rune , Nim Casper , Arendt‐Nielsen Lars , Vægter Henrik Bjarke
Published: October 2024

Background

Pain profiles (e.g. pro‐ and anti‐nociceptive) can be developed using quantitative sensory testing (QST) but substantial variability exists. This study describes the variability in temporal summation of pain (TSP) and conditioned pain modulation (CPM) in chronic musculoskeletal pain patients, proposes cut‐off values, and explores the association with clinical pain intensity.

Methods

This is a secondary analysis in which TSP and CPM were assessed using cuff algometry in pain‐free subjects (n = 69), and patients with chronic low back pain (cLBP, n = 267), osteoarthritis (n = 134), and fibromyalgia (n = 101). Using TSP and CPM from the pain‐free subjects as a reference, four distinct pain profiles TSP (low/high) and CPM (low/high) were created, and differences in clinical pain between pain profiles were explored.

Results

Individual data revealed large inter‐person variability. High TSP and low CPM were found in fibromyalgia (p < 0.01) and osteoarthritis (p < 0.01) but not cLBP when compared to pain‐free subjects. The proportion of patients classified into the distinct pain profiles was significantly different (p < 0.001) with the largest proportion in the high TSP and low CPM group in fibromyalgia (52.5%) and osteoarthritis (41.4%). Clinical pain was not significantly different comparing the pain profiles, and no significant correlations were observed between clinical pain and TSP or CPM.

Conclusion

These results demonstrated substantial inter‐person variability in TSP and CPM in patients with different chronic pain conditions and pain‐free subjects. The proportion of patients with a pro‐nociceptive profile appears larger in fibromyalgia and osteoarthritis, but we found no association to clinical pain.

Significant Statement

This analysis shows that there is variability when assessing TSP and CPM in both pain‐free subjects and patients with chronic pain. A cut‐off for determining when a person is pain‐sensitive is proposed, and data based on this cut‐off approach suggest that significantly more patients with osteoarthritis and fibromyalgia are pain‐sensitive (i.e. higher TSP and lower CPM) compared to pain‐free subjects. This analysis does not find an association between pain sensitivity and clinical pain.
Anatomy of a hotspot: Cisplatin hotspots in the tdk gene of Escherichia coli
Authors: Young Courtney , Lee Mackenzie , Ge Zoe , Shin Jeana , Bursulaya Bella , Sorensen Dana , Saud Arnav , Sridharan Ananya , Gonick Ava , Phi Nhu , Nguyen Kelly , Bhalli Shawal , Hiranandani Jyotsna , Miller Jeffrey H.
Published: October 2024

We previously reported that certain sub‐regions of the thyA gene of Escherichia coli are more mutable than others when many different mutagens and mutators are analyzed (Mashiach et al., Mutation Research Fundamental Molecular Mechansims of Mutagenesis, 821: 111702, 2021). In this study, we focus on a single mutagen, cisplatin and verify that mutations occur preferentially at specific 3 bp sequences, but only when they appear in certain subregions of the gene. Moreover, we show that hotspots for some premutational lesions are camouflaged by the preferential repair effected by the uvrA,B,C‐encoded excision repair system, even when they appear on the same strand. We do this by using a novel reporter gene in E. coli, the tdk gene that codes for thymidine deoxykinase, and we describe some of the advantages of utilizing this detection system.
Hydrological and morphological responses in the São Francisco River Basin (Northeast Brazil) resulting from river damming and climate changes in a tropical region
Authors: Gomes Pedro Victor Oliveira , Figueiredo Felipe Torres , Fambrini Gelson Luís , Pupim Fabiano , Grohmann Carlos Henrique , Vedana Luiz Alberto , Franco Luisa Sampaio
Published: October 2024

The São Francisco River in Northeast Brazil has seen hydrological and morphological changes due to extensive damming and climate change over the past century. In this study, we examine the influence of human activities and natural fluctuations in precipitation on the hydrological patterns of the basin and the morphological responses of the lower course of the river (LOW‐SF) to these alterations over a span of several decades. The findings indicate a decrease in water release by 41% from 1995 to 2013 and 54% from 2013 to 2018, solely attributed to human actions. Furthermore, the operation of the reservoirs of the large dams resulted in a reduction in hydrological seasonality. The changing hydrological regime caused morphological changes that resulted in an expansion of the exposed subaerial fluvial bars in the LOW‐SF and a reduction in channel width. As a result, the abandonment of small secondary channels occurred, leading to the cessation of inundation in previously buried elevated portions of bars, even during certain seasons. Another important factor was the spread of morphological changes in the LOW‐SF, which started from the areas farthest from the last dam in the series of large dams, the Xingó Dam, and spread to the nearby regions. This is due to the lack of major tributaries in the semiarid region of the LOW‐SF. The integrated assessment presented in this study illustrates both natural and anthropogenic influences. Moreover, in light of projected declines in precipitation, it is anticipated that natural phenomena could result in a substantial 73% decrease in water flow by the mid‐20th century. This climatic scenario will lead to increased utilization of hydroelectric plants and more stringent control of water flow downstream of the dam cascade, intensifying the already documented adverse effects and posing the possibility of novel morphological adaptations.
Sustainable Maize Storage Technology Adoption in Ghana: Implications for Postharvest Losses, Farm Income, and Income Inequality
Authors: Adams Faizal , Donkor Emmanuel , Quaye Jonathan , Jantuah Anthony Adusei , Etuah Seth
Published: October 2024

The Purdue Improved Crop Storage (PICS) bag, a sustainable post‐harvest storage technology, can address the high postharvest losses that are a major threat to economic development, food security and the environment in Africa. However, there is limited empirical research on this technology. This study therefore aims to fill this knowledge gap by analysing the factors influencing the diffusion and adoption rates of PICS bags and estimates the impact of the technology adoption on postharvest losses, farm income and income inequality in the Ashanti region of Ghana. The results show that less than 20% of farmers adopt the PICS bag, suggesting low adoption despite the widespread exposure of 51.75%. The technology adoption rate could be increased by 20% if all the farmers were exposed to it. It reduces postharvest losses by 14.2%–19.1%, increases farm income by 89.7%–91.2% and reduces income inequality by 51.33%. These findings suggest that promoting the technology can stimulate sustainable rural development by improving farmers' welfare.
How Do Household Coping Strategies Evolve With Increased Food Insecurity? An Examination of Nigeria's Food Price Shock of 2015–2018
Authors: Quinton Justin , Jenkins Glenn P. , Olasehinde‐Williams Godwin
Published: October 2024

Faced with a significant devaluation of its currency and a surge in food prices, the Nigerian government prohibited the use of foreign currency for food imports. This essentially blocked the importation of numerous food items under the guise of stimulating the domestic output of these staples. Consequently, food prices in Nigeria increased despite a global decline in food prices, and the incidence and severity of food insecurity escalated. This study examines the changes in the types and severity of coping mechanisms for food insecurity resulting from the food price shock caused by the oil price crash, currency devaluation, and restrictions on foreign exchange. Nigeria's General Household Survey Panel data from 2012 and 2015, during periods of high oil prices, is compared with data from 2018 when oil prices had remained low, the currency had been devalued, and the treasury had been depleted. Alongside detailed descriptive statistics, logistic and hurdle regressions are employed for statistical analysis. Findings indicate a rise in the percentage of Nigerian households grappling with food insecurity from 2015 to 2018. During this period, 68.7% of households resorted to at least one coping mechanism, 31.8% adopted six or more coping strategies, and 43.2% resorted to severe coping strategies. The issue stems not primarily from natural disasters or conflicts but from a failure in macroeconomic and agricultural economic policies. Our findings confirm that these policies come at great cost, particularly to female‐headed households, single‐parent households, households headed by elderly people, and other vulnerable populations, pushing them deeper into food insecurity.
Mapping Age Differences in Brain Energy Metabolites and Metabolic Markers of Cellular Membrane Production and Degradation With 31P Magnetic Resonance Spectroscopy
Authors: Raz Naftali , Daugherty Ana M. , Khatib Dalal , Dahle Cheryl L. , Rajan Usha , Zajac‐Benitez Caroline , Stanley Jeffrey A.
Published: October 2024

Using Phosphorus Magnetic Resonance Spectroscopy (31P MRS), we examined five metabolites associated with brain energy cycle, and cellular membrane production and degradation in 11 brain regions of 48 children (age 6–15), and 80 middle‐aged and older adults (age 52–87). Levels of phosphomonoesters (PMEs) and phosphodiesters (PDEs), gamma plus alpha adenosine triphosphate (γαATP), phosphocreatine (PCr) and inorganic phosphate (Pi), were residualized on the total amplitude value. PMEs were greater in children compared to adults, whereas PDEs showed the opposite age difference. Higher γαATP and lower Pi were found in children compared to adults. The age group differences were particularly salient in the association cortices and anterior white matter. Among children, age correlated negatively with PMEs and positively with PDEs in association cortices. Compared to children, adults had lower intracellular pH. The results suggest reduction in membrane synthesis and increase in membrane degradation in adolescents and to a greater degree in adults compared to younger children. Concomitant reduction in γαATP and increase in Pi are consistent with reduced energy consumption in adolescents and further drop in middle‐aged and older adults, although it is impossible to distinguish declines in energy supply from reduced demand due to shrinking neuropil, without longitudinal studies.
Depression and related factors among patients with post‐COVID‐19 conditions: Cross‐sectional, hospital‐based study
Authors: Binh Nguyen Thanh , Thuan Tran Thien , Luc Nguyen Hoang Tan , Bang Ho Tat , Trinh Le Thi Diem
Published: October 2024

Background and Aims

The COVID‐19 crisis has significantly impacted public health, particularly mental health. This study aims to determine the prevalence of depression and related factors among patients with post‐COVID‐19 conditions in an outpatient clinic at a tertiary referral hospital in Southern Vietnam.

Methods

A cross‐sectional survey was conducted among 410 patients with post‐COVID‐19 conditions in an outpatient clinic at the University Medical Center Ho Chi Minh City. A convenience sampling method was used to screen for depression using the Patient Health Questionnaire‐9 (PHQ‐9).

Results

A total of 410 patients participated in the study. Depression was observed in 23.7% of respondents, categorized as mild (80.4%), moderate (16.5%), or severe (3.1%) based on PHQ‐9 scores. Factors influencing depression included age 50 years or older, religion, education level, full‐time employment, marital status, family contact, use of anti‐inflammatory drugs, hospital admission due to COVID‐19, chronic diseases, hypertension, and post‐COVID‐19 symptoms (shortness of breath, palpitations, fatigue, headache, abdominal pain, brain fog, insomnia, and loss of appetite). The most common symptoms reported were cough, dyspnea, shortness of breath, fatigue, and loss of appetite. A p‐value of less than 0.05 indicated statistical significance.

Conclusion

The prevalence of depression among patients with post‐COVID‐19 conditions in the outpatient clinic was high. Improving mental health and quality of life, alongside the prevention and treatment of COVID‐19, should remain public health priorities.
Macrophages in the inflammatory response to endotoxic shock
Authors: Zhao Xinjie , Wang Mengjie , Zhang Yanru , Zhang Yiyi , Tang Haojie , Yue Hongyi , Zhang Li , Song Dan
Published: October 2024

Background

Endotoxic shock, particularly prevalent in intensive care units, represents a significant medical challenge. Endotoxin, upon invading the host, triggers intricate interactions with the innate immune system, particularly macrophages. This activation leads to the production of inflammatory mediators such as tumor necrosis factor‐alpha, interleukin‐6, and interleukin‐1‐beta, as well as aberrant activation of the nuclear factor‐kappa‐B and mitogen‐activated protein kinase signaling pathways.

Objective

This review delves into the intricate inflammatory cascades underpinning endotoxic shock, with a particular focus on the pivotal role of macrophages. It aims to elucidate the clinical implications of these processes and offer insights into potential therapeutic strategies.

Results

Macrophages, central to immune regulation, manifest in two distinct subsets: M1 (classically activated subtype) macrophages and M2 (alternatively activated subtype) macrophages. The former exhibit an inflammatory phenotype, while the latter adopt an anti‐inflammatory role. By modulating the inflammatory response in patients with endotoxic shock, these macrophages play a crucial role in restoring immune balance and facilitating recovery.

Conclusion

Macrophages undergo dynamic changes within the immune system, orchestrating essential processes for maintaining tissue homeostasis. A deeper comprehension of the mechanisms governing macrophage‐mediated inflammation lays the groundwork for an anti‐inflammatory, targeted approach to treating endotoxic shock. This understanding can significantly contribute to the development of more effective therapeutic interventions.
A tutorial on Bayesian structural equation modelling: Principles and applications
Authors: Chen Qijin , Su Kun , Feng Yonglin , Zhang Lijin , Ding Ruyi , Pan Junhao
Published: October 2024

This paper explores the utilisation of Bayesian structural equation modelling (BSEM) in psychology, highlighting its advantages over frequentist methods for handling complex models and small sample sizes. Basic concepts and fundamental issues relevant to BSEM are introduced, such as prior setting, model convergence, and model fit evaluation and so on. The paper also provides illustrative examples of commonly employed BSEMs, including confirmatory factor analysis (CFA) models, mediation models and multigroup CFA models, accompanied by empirical data and computer codes to facilitate implementation. Our goal is to provide researchers with novel ideas for empirical research and equip them to overcome challenges inherent to traditional methods. As BSEM continues to gain traction in various fields, we anticipate its development will feature improved methods, techniques and reporting standards.