bluuebunny/crossref_metadata_2025_split huggingface dataset:
Naphthoquinones and anthraquinones: Exploring their impact on acetylcholinesterase enzyme activity
Authors: Duran Hatice Esra , Beydemir Şükrü 
Published: May 2024

AbstractThe identification of novel acetylcholinesterase inhibitors holds significant relevance in the treatment of Alzheimer's disease (AD), the prevailing form of dementia. The exploration of alternative inhibitors to the conventional acetylcholinesterase inhibitors is steadily gaining prominence. Quinones, categorized as plant metabolites, represent a specific class of compounds. In this study, the inhibitory effects of various naphthoquinone derivatives, along with anthraquinone and its derivatives, on the acetylcholinesterase (AChE) enzyme were investigated for this purpose. An in vitro investigation was conducted to examine the effects of these compounds in order to clarify the possible mechanism of inhibition in the interaction between the enzyme and chemicals. In addition, an in silico investigation was carried out to understand the conceivable inhibitor binding process to the enzyme's active site. The acquired outcomes corroborated the in vitro results. The AChE enzyme was found to be effectively inhibited by both naphthoquinones and anthraquinones, with inhibition constant (KI) values ranging from 0.014 to 0.123 μM (micormolar). The AChE enzyme was inhibited differently by this quinone and its derivatives. Although derivatives of naphthoquinone and anthraquinone exhibited a competitive inhibitory effect, derivatives of anthraquinone exhibited a noncompetitive inhibition effect. Furthermore, because it had the lowest KI value of any of these substances, 1,5‐dihydroxyanthraquinone (1c) was shown to be the most potent inhibitor. The findings will add to the body of knowledge on the creation of fresh, potent, and successful treatment approaches.
Association of MTHFR (C677T, A1298C) and MTRR A66G polymorphisms with fatty acids profile and risk of neural tube defects
Authors: Nasri Kaouther , Ben Jamaa Nadia , Gaigi Soumeya Siala , Feki Moncef , Marrakchi Raja 
Published: May 2024

AbstractObjectiveThis study aims to determine if 5,10‐methylenetetrahydrofolate reductase (MTHFR C677T and A1298C) and methionine synthase reductase (MTRR A66G) gene polymorphisms were associated with fatty acid (FA) levels in mothers of fetuses with neural tube defects (NTDs) and whether these associations were modified by environmental factors.MethodsPlasma FA composition was assessed using capillary gas chromatography. Concentrations of studied FA were compared between 42 mothers of NTDs fetuses and 30 controls as a function of each polymorphism by the Kruskal–Wallis nonparametric test.ResultsIn MTHFR gene C677T polymorphism, cases with (CT + TT) genotype had lower monounsaturated FA (MUFA) and omega‐3 polyunsaturated FA (n‐3 PUFA) levels, but higher omega‐6 polyunsaturated FA (n‐6 PUFA) and omega‐6 polyunsaturated FA: omega‐3 polyunsaturated FA (n‐6:n‐3) ratio levels. In MTRR gene A66G polymorphism, cases with (AG + GG) genotype had lower MUFA levels, but higher PUFA and n‐6 PUFA levels. Controls with (AG + GG) genotype had lower n‐6 PUFA levels. In MTHFR gene C677T polymorphism, cases with smoking spouses and (CT + TT) genotype had lower MUFA and n‐3 PUFA levels, but higher PUFA, n‐6 PUFA, and n‐6:n‐3 ratio levels. Cases with (CT + TT) genotype and who used sauna during pregnancy had lower n‐3 PUFA levels. In MTRR gene A66G polymorphism, cases with (AG + GG) genotype and who used sauna during pregnancy had higher PUFA and n‐6 PUFA levels.ConclusionsFurther research is required to clarify the association of FA metabolism and (MTHFR, MTRR) polymorphisms with NTDs.
A single‐step synthesis of 5,6‐dihydropyrrolo[2,1‐a]isoquinolines and evaluation of their anti‐leukemic activity
Authors: Park Hoyeong , Raikar Santosh Shivanand , Ahn Min Jeong , Kim Seong Hwan , Kim Pilho 
Published: May 2024

AbstractWhile a pharmaceutically intriguing scaffold, 5,6‐dihydropyrrolo[2,1‐a]isoquinoline (DHPIQ), has precedently been prepared from diverse tetrahydroisoquinolines (THIQs) using elaborate conditions, convenient metal‐free methods were discovered from condensation of cyanomethylene‐THIQ (1) and α‐halo‐ketones or aldehydes (1a) to afford 15 DHPIQs (2–16) in moderate yields by employing unique reactivities of the secondary amine and α‐carbon to the nitrile of 1. Preliminary biological studies with chronic myelogenous leukemia K562 and adriamycin‐resistant K562 (K562/ADM) cells exhibited some of the DHPIQs tested were active in the both cell lines. In particular, cyclohexyl‐fused DHPIQ (10) showed GI50 values of 9.79 and 13.60 μM in K562 and K562/ADM cells, respectively. Based on the flow cytometry analysis of 10, the anti‐cancer activity could be from apoptosis‐related mechanisms. Overall, this DHPIQ scaffold may be further optimized to discover clinically meaningful anti‐leukemic agents overcoming adriamycin resistance.
Regorafenib with immunotherapy versus regorafenib alone as second‐line treatment for hepatocellular carcinoma: A multicenter real‐world study
Authors: Qiao Liang , He Wei , Wang Guoying , Chen Huanwei , Huang Fuxi , Zhang Bo , Qiu Yuxiong , Liu Shaoru , Huang Zhenkun , Yuan Yichuan , Qiu Jiliang , Yuan Yunfei , Li Binkui 
Published: May 2024

AbstractIntroductionRegorafenib remains the standard and widely used second‐line strategy for advanced hepatocellular carcinoma (HCC). There is still a lack of large‐scale multicenter real‐world evidence concerning the concurrent use of regorafenib with immune checkpoint inhibitors (ICI). This study aims to evaluate whether combining regorafenib with ICI provides greater clinical benefit than regorafenib monotherapy as second‐line therapy for advanced HCC under real‐world circumstances.Patients and MethodsThe study included 208 patients from five medical facilities. One hundred forty‐three patients received regorafenib plus ICI combination therapy, while 65 patients received regorafenib monotherapy. Propensity score matching (PSM) analysis was employed.ResultsThe regorafenib plus ICI group demonstrated significantly higher objective response rate (24.3% vs. 10.3%, after PSM, p = 0.030) and disease control rate (79.4% vs. 50.0%, after PSM, p < 0.001) compared to the regorafenib monotherapy group based on mRECIST criteria. Median progression‐free survival (7.9 vs. 3.2 months, after PSM, p < 0.001) and overall survival (25.6 vs. 16.4 months, p = 0.010, after PSM) were also considerably longer in the regorafenib plus ICI group. The incidence of Grades 3–4 treatment‐related adverse events (TRAEs) was marginally greater in the regorafenib plus ICI group than in the regorafenib group (23.8% vs. 20.0%, p = 0.546). Notably, there were no instances of treatment‐related mortality or emergence of new TRAEs in any treatment group.ConclusionThe combination of regorafenib and ICI shows potential as a viable second‐line treatment for advanced HCC, exhibiting favorable efficacy while maintaining a tolerable safety profile in contrast to regorafenib monotherapy.
In situ and Operando Characterisation in the Preferential Oxidation of Carbon Monoxide over Base Metal Oxide Catalysts: A Review
Authors: Nyathi Thulani M. , Fadlalla Mohamed I. , Claeys Michael 
Published: May 2024

AbstractPolymer electrolyte membrane fuel cells (PEMFCs) are the core technology of the steadily growing hydrogen (H2) economy as they can convert chemical energy, in the form of H2, to electrical energy. If the H2 is derived from (green) hydrocarbons, via steam reforming and the water‐gas‐shift reaction, then it would contain small amounts of carbon monoxide (CO, 0.5–2 %), among other gases. CO poisons the platinum‐based anode catalyst in the PEMFC, and the current recommendation is to decrease its concentration to below 0.01 % (or 100 ppm) in the H2‐rich PEMFC feed. The preferential oxidation of CO (CO‐PrOx) is a promising strategy for decreasing the CO concentration, and base metal oxide catalysts have shown great potential in this regard. However, such catalysts tend to undergo physicochemical changes that cause undesirable catalytic activity and selectivity changes. This review discusses the different base metal oxide catalysts that have been evaluated in CO‐PrOx, while paying special attention to the various in situ and operando techniques that have been used to monitor the physicochemical changes of base metal oxides during operation. We conclude the review by highlighting the recent and possible future attempts of circumventing the undesired physicochemical changes of base metal oxides during CO‐PrOx.
Continuous Flow‐By Electrochemical Reactor Design for Direct Lithium Extraction from Brines
Authors: Roggerone Clara , La Mantia Fabio , Kowal Julia , Laß‐Seyoum Asnakech 
Published: May 2024

AbstractThe demand for lithium is expected to increase significantly in the next few years, mainly due to the energy transition in the mobility sector. To electrify the entire global transportation system, it is necessary to have access to a wide variety of lithium deposits to ensure resource sovereignty and sufficient supply to meet demand. For this reason, much effort has recently been invested in developing technologies for direct lithium extraction (DLE) from brines. In this work, a membrane‐based continuous flow‐by reactor for the electrochemical extraction of lithium from brine with a LiMn2O4/λ‐MnO2 system has been studied. A zoned reactor was proposed in which the current density and electrode mass loading gradually decrease along with the depletion of lithium in the brine, obtaining an average electrode capacity of 80 mAh/g throughout three different reactor sections. The limiting Reynolds number was determined for the dilute lithium segment of the reactor to avoid mass transport limitations, with brine concentration equal to Li 3 mM and Na 1.3 M. A homogeneous cycle time was achieved for the three reactor zones and their associated average energy consumption was determined, ranging from 3.9 Wh/mol Li to 9.5 Wh/mol Li.
Photo‐Induced Generation of Oxygenated Quaternary Centers via EnT Enabled Singlet O2 Addition to C3‐Maleimidated Quinoxaline: A Reagent‐Less Approach
Authors: Ghosh Subhendu , Khandelia Tamanna , Mahadevan Anjali , Panigrahi Pritishree , Kumar Piyush , Mandal Raju , Boruah Deepjyoti , Venkataramani Sugumar , Patel Bhisma K. 
Published: May 2024

AbstractDemonstrated here is an external photo‐sensitizer‐free (auto‐sensitized) singlet oxygen‐enabled solvent‐dependent tertiary hydroxylation and aryl‐alkyl spiro‐etherification of C3‐maleimidated quinoxalines. Such “reagent‐less” photo‐oxygenation at Csp3‐H and etherification involving Csp3‐H/Csp2‐H are unparalleled. Possibly, the highly π‐conjugated N‐H tautomer allows the substrate to get excited by irradiation, and subsequently, it attains the triplet state via ISC. This excited triplet‐state sensitized molecule then transfers its energy to a triplet‐state oxygen (3O2) generating reactive singlet oxygen (1O2) for hydroxylation and spirocyclization depending on the solvent used. In HFIP, the generated alkoxy radical accepts a proton via HAT giving hydroxylated product. In contrast, in an aprotic PhCl it underwent a radical addition at the ortho‐position of the C2 aryl to provide spiro‐ether. An unprecedented orthogonal spiro‐etherification was observed via the displacement of o‐substitutents for ortho (−OEt, −OMe, −F, −Cl, −Br) substituted substrates. The order of ipso substitution follows the trend −OMe>−OEt>−F>−H>−Cl>−Br. Both these oxygenation reactions can be carried out with nearly equal ease using direct sunlight without the requirement of any elaborate reaction setup. Demonstration of large‐scale synthesis and a few interesting transformations have also been realized. Furthermore, several insightful control experiments and quantum chemical computations were performed to unravel the mechanism.
Unusual Stability of an End‐on Superoxido Copper(II) Complex under Ambient Conditions
Authors: Campi Chiara Eleonora , Parkatzidis Kostas , Anastasaki Athina , Schindler Siegfried 
Published: May 2024

AbstractSuperoxido copper complexes play an important role as usually short‐lived intermediates in biology and chemistry. The unusual stability of an end‐on superoxido copper complex observed in an oxygen‐enhanced atom transfer radical polymerization (ATRP) led to a detailed mechanistic investigation of the formation of [CuII(Me6tren)(O2⋅−)]+ (Me6tren=tris(2‐dimethyl‐aminoethyl)amine) under ambient conditions. The persistence of the superoxido copper complex could be explained by a reaction cycle including the peroxido complex [(Me6tren)2CuII2(O2)]2+ together with [CuI(Me6tren)(DMSO)]+ and [CuII(Me6tren)(OH)]+ in the overall reaction.
Mass transfer and bubble hydrodynamics in stirred tank with multiple properties fluid via a CFD‐PBM method
Authors: Chen Hao , Chen Zhe , Wang Xu‐Qing , Yi Xiu‐Guang , Zhang Xi‐Bao , Luo Zheng‐Hong 
Published: May 2024

AbstractThe performance of a stirred bioreactor was evaluated in this study in terms of the bubble hydrodynamics and the mass transfer efficiency, using a non‐viscous Newtonian fluid of water, a viscous non‐Newtonian fluid of xanthan, and a viscous non‐Newtonian fluids of xanthan with dispersed soybean powder, respectively. The computational fluid dynamics–population balance model (CFD‐PBM) method coupled with the viscosity model and the mass transfer model is established to simulate the gas–liquid mass transfer process and bubble size distribution in the stirred bioreactor. The results demonstrate that the rheological properties of the fluid play an important role in determining the gas holdup, the mass transfer efficiency, and the bubble size distribution. Viscosity of the fluid exhibits a negative impact on gas–liquid mass transfer rate and gas holdup. Moreover, by properly adjusting the operating conditions such as the stirrer speed, it is possible to modulate the gas dispersion and mass transfer rate in the reactor.
Design of OFDM‐based two‐wire bus communication system for fire safety
Authors: Zhao Yingxin , Ou Ziwei , Xue Yuqiong , Wang Changfeng , Wu Hong 
Published: May 2024

SummaryIntelligent fire safety systems place higher demands on the speed and reliability of data communication between sensors, controllers, and other devices. The two‐wire bus has become a significant trend in developing fire safety communication systems because of its low cost and simple maintenance. This paper proposes a two‐wire bus communication system for fire safety based on orthogonal frequency division multiplexing (OFDM) technology. First, we introduce the low‐voltage power line channel model and conduct relevant simulations, providing the conditions for subsequent simulation work. Then, we design the system's transmission and reception schemes, provide the parameters, and introduce each technology used. Finally, we conducted system simulations based on three different channel models, and the system performance is compared among different encoding, modulation, and channel estimation methods. The simulation results show that the system designed in this paper has superior performance compared with other systems and can meet the requirements of intelligent fire safety systems for communication speed and reliability.
Genetic insights into the role of cathepsins in cardiovascular diseases: a Mendelian randomization study
Authors: Zeng Ruiqi , Zhou Zhiyi , Liao Wanzhe , Guo Beian 
Published: May 2024

AbstractAimsThis study aimed to explore the causal relationships between cathepsins and cardiovascular diseases (CVDs) by Mendelian randomization (MR) analysis.Methods and resultsSingle nucleotide polymorphisms (SNPs) associated with nine cathepsin types (cathepsins B, E, F, G, H, O, S, L2, and Z) were obtained from the INTERVAL study (3301 individuals). CVDs data were acquired from the UK Biobank (coronary atherosclerosis: 14 334 cases, 346 860 controls) and a genome‐wide association study (GWAS) (myocardial infarction: 20 917 cases, 440 906 controls; myocarditis: 633 cases, 427 278 controls; chronic heart failure: 14 262 cases, 471 898 controls; angina pectoris: 30 025 cases, 440 906 controls; stable angina pectoris: 17 894 cases, 325 132 controls; unstable angina pectoris: 9481 cases, 446 987 controls; pericarditis: 1795 cases, 453 370 controls). Inverse variance weighted (IVW), MR‐Egger, weighted median methods were adopted to conduct univariable MR (UVMR), reverse MR, multivariable MR (MVMR) analyses to estimate causality. The UVMR analyses demonstrated significant causal relationships between higher cathepsin E levels and increased risk of coronary atherosclerosis [IVW: P = 0.0051, odds ratio (OR) = 1.0033, 95% confidence interval (CI) = 1.0010–1.0056] and myocardial infarction (IVW: P = 0.0097, OR = 1.0553, 95% CI = 1.0131–1.0993), while elevated cathepsin L2 levels were causally related to reduced risk of myocarditis (IVW: P = 0.0120, OR = 0.6895, 95% CI = 0.5158–0.9216) and chronic heart failure (IVW: P = 0.0134, OR = 0.9316, 95% CI = 0.8807–0.9854). Reverse MR analyses revealed that myocardial infarction increased cathepsin O levels (IVW: P = 0.0400, OR = 1.0708, 95% CI = 1.0031–1.1431). MVMR analyses treating nine cathepsins together revealed that the positive causality between cathepsin E levels and coronary atherosclerosis risk (IVW: P = 0.0390, OR = 1.0030, 95% CI = 1.0000–1.0060), and the protective effect of cathepsin L2 levels on myocarditis (IVW: P = 0.0030, OR = 0.6610, 95% CI = 0.5031–0.8676) and chronic heart failure (IVW: P = 0.0090, OR = 0.9259, 95% CI = 0.8737–0.9812) remained, as higher cathepsin O levels were found to be causally related to increased risks of myocarditis (IVW: P = 0.0030, OR = 1.6145, 95% CI = 1.1829–2.2034) and chronic heart failure (IVW: P = 0.0300, OR = 1.0779, 95% CI = 1.0070–1.1537).ConclusionsThe study highlights the causalities of cathepsin E, L2, and O on CVDs, offering insights into their roles in cardiovascular biomarkers and therapeutic targets development. Further research is required to apply these genetic findings clinically.
Echocardiographic predictors of cardiovascular outcome in heart failure with preserved ejection fraction
Authors: Wang Nelson , Rueter Phidias , Ng Melvin , Chandramohan Sashiruben , Hibbert Thomas , O'Sullivan John F. , Kaye David , Lal Sean 
Published: May 2024

AimsThe optimal echocardiographic predictors of cardiovascular outcome in heart failure (HF) with preserved ejection fraction (HFpEF) are unknown. We aimed to identify independent echocardiographic predictors of cardiovascular outcome in patients with HFpEF.Methods and resultsSystematic literature search of three electronic databases was conducted from date of inception until November 2022. Hazard ratios (HRs) and their 95% confidence intervals (CIs) for echocardiographic variables from multivariate prediction models for the composite primary endpoint of cardiovascular death and HF hospitalization were pooled using a random effects meta‐analysis. Specific subgroup analyses were conducted for studies that enrolled patients with acute versus chronic HF, and for those studies that included E/e′, pulmonary artery systolic pressure (PASP), renal function, natriuretic peptides and diuretic use in multivariate models. Forty‐six studies totalling 20 056 patients with HFpEF were included. Three echocardiographic parameters emerged as independent predictors in all subgroup analyses: decreased left ventricular (LV) global longitudinal strain (HR 1.24, 95% CI 1.10–1.39 per 5% decrease), decreased left atrial (LA) reservoir strain (HR 1.30, 95% CI 1.13–1.1.50 per 5% decrease) and lower tricuspid annular plane systolic excursion (TAPSE) to PASP ratio (HR 1.17, 95% CI 1.07–1.25 per 0.1 unit decrease). Other independent echocardiographic predictors of the primary endpoint were a higher E/e′, moderate to severe tricuspid regurgitation, LV mass index and LA ejection fraction, although these variables were less robust.ConclusionsImpaired LV global longitudinal strain, lower LA reservoir strain and lower TAPSE/PASP ratio predict cardiovascular death and HF hospitalization in HFpEF and are independent of filling pressures, clinical characteristics and natriuretic peptides. These echocardiographic parameters reflect key functional changes in HFpEF, and should be incorporated in future prospective risk prediction models.
Effects of rainfall patterns, vegetation cover types and antecedent soil moisture on run‐off and soil loss of typical Luvisol in southern China
Authors: Wang Fei , Tian Pei , Guo Wenzhao , Chen Lin , Gong Yuwei , Ping Yaodong 
Published: May 2024

AbstractIdentifying the effect of precipitation, vegetation cover and underlying surface conditions on run‐off and soil loss is essential for understanding the mechanism of water erosion. The study site is located in the Shiqiaopu watershed of Hubei Province, China. The long‐term (2017–2021) monitoring data for this study included rainfall characteristics, antecedent soil moisture, run‐off and soil loss in four run‐off plots with four vegetation cover types (tea garden, soybean and rape, peanut and rape, and vetiver zizanioides). K‐means clustering and discriminant analysis were used to classify rainfall patterns. The improved redundancy analysis was used to quantitatively explore the relative importance of rainfall characteristics, vegetation cover and antecedent soil moisture to run‐off and soil loss. The results showed that the rainfall patterns were mainly divided into three categories: A (medium duration, small rainfall, medium rain intensity, high frequency), B (long duration, large rainfall, light rain intensity, low frequency) and C (short duration, medium rainfall, heavy rain intensity, medium frequency). The average run‐off coefficient, run‐off depth of different rainfall patterns were C > B > A, and the cumulative run‐off depth and soil loss under the A rainfall pattern were the largest. For the run‐off plots with four vegetation cover types, vetiver zizanioides had the best effect on run‐off and sediment reduction, while peanut and rape had the worst effect. The driving factor that contributed the most to the run‐off depth was vegetation cover (19.36%), and rainfall characteristics explained the most to the soil loss (11.65%). We also found that although antecedent soil moisture had a small explanation rate for soil loss, it was significantly correlated with the run‐off depth under the vegetation cover of the tea garden. Therefore, regional soil erosion should be combined with the importance of driving factors to take comprehensive control measures.