bluuebunny/crossref_metadata_2025_split huggingface dataset:
Indolyl‐4H‐Chromene Derivatives as Antibacterial Agents: Synthesis, in Vitro and in Silico Studies
Authors: Anaikutti Parthiban , Adhikari Priyanka , Baskaran Sambath , Selvaraj Mangalaraj , Afzal Mohd , Makam Parameshwar 
Published: December 2023

AbstractIn this study, indolyl‐4H‐chromene derivatives are designed and synthesised using an eco‐friendly multicomponent one‐pot synthesis using benzaldehydes, nitroketene N, S‐acetals, and indoles combine with InCl3, a Lewis acid catalyst, and ethanol, an environmentally acceptable solvent. Due to antibiotic resistance, assessed these Indolyl‐4H‐chromene derivatives for their in vitro antibacterial activity against Gram‐positive and Gram‐negative bacteria, including Streptococcus pyogenes, Staphylococcus aureus, Clostridium pyrogenes, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa, using the agar well diffusion method and Minimum Inhibition Concentration (MIC) assay. Three compounds, 4‐(1H‐indol‐3‐yl)‐6‐methoxy‐N‐methyl‐3‐nitro‐4H‐chromen‐2‐amine, 4‐(1H‐indol‐3‐yl)‐3‐nitro‐N‐phenyl‐4H‐chromen‐2‐amine and 4‐(6‐Fluoro‐1H‐Indol‐3‐yl)‐N‐methyl‐3‐nitro‐4H‐chromen‐2‐amine showed better zone of inhibition (mm) and Minimum Inhibition Concentration (MIC) values of 10 μg/mL to 25 μg/mL against all bacterial types. The Ki values of 278.60 nM and 2.21 nM for compound 4‐(1H‐indol‐3‐yl)‐3‐nitro‐N‐phenyl‐4H‐chromen‐2‐amine showed improved interactions with DNA gyrase B and topoIV ParE′s ATP binding sites in in silico studies.
Four Steroidal Saponins from the Trunks of Dracaena cambodiana with Inhibition of NO Production in LPS Activated RAW264.7 Cells
Authors: Hoang Nguyen Huy , Yen Pham Hai , Trang Do Thi , Dung Duong Thi , Cuc Nguyen Thi , Bang Ngo Anh , Trang Bui Thi Nha , Nhiem Nguyen Xuan , Tai Bui Huu , Kiem Phan Van 
Published: December 2023

AbstractDracaena cambodiana Pierre ex Gagnep. is well known as a medicinal plant and widely distributed in Vietnam. Phytochemical investigation on the trunks of D. cambodiana lead to the isolation of four undescribed compounds (1–4) together with seven known ones (5–11). Their structures were determined to be pennogenin‐24‐yl‐O‐β‐D‐glucopyranoside (1), 17α‐hydroxycambodianoside C (2), (25R)‐27‐hydroxypenogenin 3‐O‐α‐L‐rhamnopyranosyl‐(1→3)‐[α‐L‐rhamnopyranosyl‐(1→2)]‐β‐D‐glucopyranoside (3), (3β,25R)‐17α,22α‐dihydroxy‐furost‐5‐en‐3‐yl‐O‐α‐L‐rhamnopyranosyl‐(1→3)‐[α‐L‐rhamnopyranosyl‐(1→2)]‐β‐D‐glucopyranoside (4), dracagenin A (5), 1‐O‐β‐D‐glucopyranosyl‐2‐hydroxy‐4‐allylbenzene (6), 1‐O‐α‐L‐rhamnopyranosyl‐(1→6)‐β‐D‐glucopyranosyl‐2‐hydroxy‐allylbenzene (7), 2‐O‐α‐L‐rhamnopyranosyl‐(1→6)‐β‐D‐glucopyranosyl‐1‐hydroxy‐allylbenzene (8), cinnamrutinoside A (9), icariside D1 (10), and seco‐isolariciresinol 9‐O‐β‐glucopyranoside (11) by extensive spectroscopic investigation, HR‐ESI‐MS, 1D and 2D NMR spectra. The anti‐inflammatory activity of the isolated compounds was evaluated on macrophages. Compounds 1–6 significantly inhibited nitric oxide production in lipopolysaccharide (LPS)‐induced RAW 264.7 macrophages. Among them, compound 1 showed the best inhibitory activity with an IC50 value of 8.90±0.56 μM.
Review on Performance and Preparation of Catalysts for Oxidative Esterification of Aldehydes or Alcohols to Esters
Authors: Zheng Yanxia , Huang Chuxin , Li Yuchao , Yang Yubo , Xu Rui 
Published: December 2023

AbstractEster plays a crucial role as a intermediate. Acids or acid derivatives are synthesized through the oxidation of aldehydes or alcohols, followed by esterification reactions to obtain esters. However, the traditional process is intricate and demands high energy consumption. To address these concerns, the one‐step oxidative esterification of aldehydes and alcohols into esters has emerged as a simple, co‐friendly and efficient green synthesis method, opening new avenues for cost‐effective ester production. In this rapidly advancing and promising field, utilizing the latest research findings on innovative catalysts is highly desirable. In this review, we provide a comprehensive summary of recent advancements in the preparation of heterogeneous catalysts for the oxidative esterification of aldehydes or alcohols. The focus is on both noble and non‐precious metal catalysts, along with their respective reaction mechanisms. Furthermore, we present novel catalytic strategies for future applications, highlighting the advantages offered by single‐atom catalysts, hydrophobic catalysts, magnetic catalysts, and ionic liquid catalysts. Additionally, we shed light on the opportunities and challenges that lie ahead in this field.
Maximizing Efficiency and Affordability with Ceramic Membranes for Enzyme Immobilization
Authors: Ranganathan Padmashree , Raja Vinoth Kumar 
Published: December 2023

AbstractLow‐cost ceramic microfiltration membranes were explored for immobilizing lipases. Expensive commercial ceramics (e.g., alumina, zirconia) have advantages like chemical robustness, but high sintering temperatures limit their usability. To overcome this, researchers used Fuller's earth clay with rice husk ash to create cost‐effective membranes. However, fewer reactive sites on ceramic surfaces hinder enzyme immobilization. To address this, 3‐aminopropyltriethoxysilane and glutaraldehyde activated the membrane for covalent lipase binding. The immobilized membrane retained activity for over five 1‐h reaction cycles with a minimal performance decline of around 60 %. After five cycles, it retained over 40 % of the initial activity. These results show promise for using low‐cost ceramic membranes in various industries, such as in food, beverages, pharmaceuticals, and chemical production.
Hybrid Metal‐Ion Capacitors Based on Carbon Nanospheres
Authors: Díez Noel , Sevilla Marta 
Published: December 2023

AbstractHybrid metal‐ion capacitors, merging the merits of batteries and supercapacitors, are considered as a promising energy storage technology able to satisfy the rising energy requirements of modern powered devices. Regrettably, their development is currently hampered by the diffusion‐controlled storage mechanism taking place at the battery‐type, negative electrode material. Herein we highlight and review the promising role of carbon nanospheres ‐that combine a dense morphology with short solid‐state diffusion pathways‐ in minimizing the kinetic restrictions in the battery‐type electrode. Besides, carbon nanospheres presenting a highly developed pore structure and readily available micropores fully satisfy the requirements for the supercapacitor‐type electrode. The recent findings collected in this concept paper support the suitability of carbon nanospheres for the production of negative and positive electrode materials for these hybrid systems.
Juggling Optoelectronics and Catalysis: The Dual Talents of Bench Stable 1,4‐Azaborinines
Authors: van Beek Chloe M. , Swarbrook Amelia M. , Creissen Charles E. , Hawes Chris S. , Gazis Theodore A. , Matthews Peter D. 
Published: December 2023

AbstractBoron‐ and nitrogen‐doped polycyclic aromatic hydrocarbons (B‐PAHs) have established a strong foothold in the realm of organic electronics. However, their catalytic potential remains largely untapped. In this study, we synthesise and characterise two bench stable B,N‐doped PAH derivatives based on a 1,4‐azaborinine motif. Most importantly, the anthracene derived structure is an efficient catalyst in the reduction of various carbonyls and imines. These results underscore the potential of B,N‐PAHs in catalytic transformations, setting the stage for deeper exploration in this chemical space.
Opportunities and Obstacles in LCTEM Nanoimaging – A Review
Authors: Tarnawski Tomasz , Parlińska‐Wojtan Magdalena 
Published: December 2023

AbstractLiquid Cell Transmission Electron Microscopy (LCTEM) is a great progression in nanostructure imaging, allowing the observation of chemical reactions in real time. It is widely reported, that this technique can be successfully used for analyzing nanoparticles synthesis, diffusion, aggregation and degradation. This gives a completely new insight into nanotechnological research. Normally, samples in TEM must be observed in vacuum, showing only the results of a performed experiment, whereas in situ observations in liquid environment provide information about the dynamics of the processes. LCTEM can show, how orientation of the particles/aggregates, surface roughness or solution flow rate influence the examined reaction. Those data are highly valuable for creating kinetic models of the reactions. There are however still some obstacles in LCTEM. Imaging of nanostructures in liquid environment is problematic since the electron beam reportedly may affect the observed sample. The beam modifies the temperature and pH of the liquid sample, changing the process dynamics. Therefore, its influence needs to be considered during in situ TEM observations. Nevertheless, LCTEM remains one of the highest achievements in the field of nanostructures imaging. In this review, recent achievements and developments of the LCTEM technique are presented.
The levels and trends of cancer incidence in the elderly population at national and sub‐national scales in Iran from 1990 to 2016
Authors: Shokri Varniab Zahra , Saeedi Moghaddam Sahar , Pourabhari Langroudi Ashkan , Azadnajafabad Sina , Mortazavi Seyede Salehe , Sheidaei Ali , Gohari Kimiya , Farzi Yosef , Shirzad Moghaddam Zeinab , Sohrabi Hanye , Shati Mohsen 
Published: December 2023

AbstractBackgroundCancer is most commonly associated with aging. It is necessary to gain a better understanding of cancer's trend and distribution among elderlies and provide comprehensive cancer care for this population.AimsThe aim of the current study was to show the trends in cancer incidence focusing on the population aged 60+ from 1990 to 2016 in Iran.Material and ResultsWe used the dataset of the Iran Cancer Registry to estimate cancer incidences by sex, age, province, and year. In order to account for incomplete data we used a two‐stage spatiotemporal model along with random intercept mixed effect models. We calculated annual age‐standardized incidence rates (ASIRs) for age groups 60+ and 5‐interval age groups. There was an increasing trend of 25.3% to 936.9% (95% uncertainty interval: 769.6–1141.8) in ASIR in the elderly in 2016. ASIR of all cancers were 889.7 (731.3–1083.6) in women and 988.1 (811.1–1205) in men in 2016, per 100 000 respectively, which had an increasing trend comparing 1990. Skin, breast, and stomach cancers in women and prostate, skin, and stomach cancers in men were the most common types in 2016. All the most incident cancer subtypes underwent an increasing trend in both sexes, except for the bladder, esophageal, and skin cancers which almost had a similar level in 1990 and 2016. Most provinces had an increasing trend in ASIR in all cancers combined from 1990 to 2016 except Zanjan with a decreasing trend.ConclusionRegarding the persistent increasing trend of most elderly cancers' incidence, this is crucial for policymakers to establish preventive plans, determine proper resource allocation, and develop specific treatments for elderly cancer patients.
Previous cardiovascular injury is a prerequisite for immune checkpoint inhibitor‐associated lethal myocarditis in mice
Authors: Rubio‐Infante Nestor , Castillo Elena Cristina , Alves‐Figueiredo Hugo , Ramos‐González Martin , Salazar‐Ramírez Felipe , Salas‐Treviño Daniel , Soto‐Domínguez Adolfo , Lozano Omar , García‐Rivas Gerardo , Torre‐Amione Guillermo 
Published: December 2023

AbstractAimsImmune checkpoint inhibitors (ICIs) are antineoplastic drugs designed to activate the immune system's response against cancer cells. Evidence suggests that they may lead to immune‐related adverse events, particularly when combined (e.g., anti‐CTLA‐4 plus anti‐PD‐1), sometimes resulting in severe conditions such as myocarditis. We aimed to investigate whether a previously sustained cardiac injury, such as pathological remodelling due to hypertension, is a prerequisite for ICI therapy‐induced myocarditis.MethodsWe evaluated the cardiotoxicity of ICIs in a hypertension (HTN) mouse model (C57BL/6). Weekly doses were administered up to day 21 after the first administration. Our analysis encompassed the following parameters: (i) survival and cardiac pathological remodelling, (ii) cardiac function assessed using pressure‐volume (PV)‐loops, with brain natriuretic peptide (BNP) serving as a marker of haemodynamic dysfunction and (iii) cardiac inflammation (cytokine levels, infiltration, and cardiac antigen autoantibodies).ResultsAfter the first administration of ICI combined therapy, the treated HTN group showed a 30% increased mortality (P = 0.0002) and earlier signs of hypertrophy and pathological remodelling compared with the untreated HTN group. BNP (P = 0.01) and TNF‐α (<0.0001) increased 2.5‐ and 1.7‐fold, respectively, in the treated group, while IL‐6 (P = 0.8336) remained unchanged. Myocarditis only developed in the HTN group treated with ICIs on day 21 (score >3), characterised by T cell infiltration and increased cardiac antigen antibodies (86% showed a titre of 1:160). The control group treated with ICI was unaffected in any evaluated feature.ConclusionsOur findings indicate that pre‐existing sustained cardiac damage is a necessary condition for ICI‐induced myocarditis.
Environmental Risk Assessment with Energy Budget Models: A Comparison Between Two Models of Different Complexity
Authors: Romoli Carlo , Jager Tjalling , Trijau Marie , Goussen Benoit , Gergs Andrè 
Published: December 2023

Abstract
The extrapolation of effects from controlled standard laboratory tests to real environmental conditions is a major challenge facing ecological risk assessment (ERA) of chemicals. Toxicokinetic–toxicodynamic (TKTD) models, such as those based on dynamic energy budget (DEB) theory, can play an important role in filling this gap. Through the years, different practical TKTD models have been derived from DEB theory, ranging from the full “standard” DEB animal model to simplified “DEBtox” models. It is currently unclear what impact a different level of model complexity can have on the regulatory risk assessment. In the present study, we compare the performance of two DEB–TKTD models with different levels of complexity, focusing on model calibration on standard test data and on forward predictions for untested time-variable exposure profiles. The first model is based on the standard DEB model with primary parameters, whereas the second is a reduced version with compound parameters, based on DEBkiss. After harmonization of the modeling choices, we demonstrate that these two models can achieve very similar performances both in the calibration step and in the forward prediction step. With the data presented in the present study, selection of the most suitable TKTD model for ERA therefore cannot be based alone on goodness-of-fit or on the precision of model predictions (within current ERA procedures for pesticides) but would likely be based on the trade-off between ease of use and model flexibility. We also stress the importance of modeling choices, such as how to fill gaps in the information content of experimental toxicity data and how to accommodate differences in growth and reproduction between different data sets for the same chemical–species combination. Environ Toxicol Chem 2024;43:440–449. © 2023 ibacon GmbH. Bayer AG and The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Evidence for modulation of EEG microstates by mental workload levels and task types
Authors: Chen Jingxin , Ke Yufeng , Ni Guangjian , Liu Shuang , Ming Dong 
Published: December 2023

AbstractElectroencephalography (EEG) microstate analysis has become a popular tool for studying the spatial and temporal dynamics of large‐scale electrophysiological activities in the brain in recent years. Four canonical topographies of the electric field (classes A, B, C, and D) have been widely identified, and changes in microstate parameters are associated with several psychiatric disorders and cognitive functions. Recent studies have reported the modulation of EEG microstate by mental workload (MWL). However, the common practice of evaluating MWL is in a specific task. Whether the modulation of microstate by MWL is consistent across different types of tasks is still not clear. Here, we studied the topographies and dynamics of microstate in two independent MWL tasks: NBack and the multi‐attribute task battery (MATB) and showed that the modulation of MWL on microstate topographies and parameters depended on tasks. We found that the parameters of microstates A and C, and the topographies of microstates A, B, and D were significantly different between the two tasks. Meanwhile, all four microstate topographies and parameters of microstates A and C were different during the NBack task, but no significant difference was found during the MATB task. Furthermore, we employed a support vector machine recursive feature elimination procedure to investigate whether microstate parameters were suitable for MWL classification. An averaged classification accuracy of 87% for within‐task and 78% for cross‐task MWL discrimination was achieved with at least 10 features. Collectively, our findings suggest that topographies and parameters of microstates can provide valuable information about neural activity patterns with a dynamic temporal structure at different levels of MWL, but the modulation of MWL depends on tasks and their corresponding functional systems. Moreover, as a potential indicator, microstate parameters could be used to distinguish MWL.
Pedicled osteomyocutaneous pectoralis major flap with osseous rib harvest for salvage mandibular reconstruction: Case and technique
Authors: Judd Ryan T. , McCrary Hilary C. , Farlow Janice L. , Li Michael , Godsell Jeremy , Kneuertz Peter J. , Ozer Enver 
Published: December 2023

AbstractIn the era of free flap reconstruction, mandibular defects are routinely reconstructed with osseous free flaps, and non‐free flap bony reconstruction options are limited. A patient with T4N0 mandibular squamous cell carcinoma underwent resection with fibula free flap reconstruction of a parasymphyseal to angle defect. After free flap failure due to venous congestion, the flap was explanted. He declined additional free flap reconstruction and elected to proceed with pedicled osteomyocutaneous pectoralis major with rib. In this case presentation, we discuss the technical details of harvest of this flap using the 6th rib. The pedicled osteomyocutaneous pectoralis major flap with osseous rib harvest, which is infrequently described in the literature, remains a viable option for bony reconstruction, particularly in the salvage setting.
Energetic performance evaluation of a corrugated channel solar air heater: Experimental investigation, mathematical modeling, and solution procedure
Authors: Chanaa Fatima , Benhmida Mohammadi , Nadi Monir , El Alami Yassine , Amiry Houssam , Bendaoud Rachid , Yaden Mohammed Faysal , Baghaz Elhadi , Bounouar Said , Yadir Said 
Published: December 2023

AbstractThe cost of manufacturing and electricity consumption are key considerations in encouraging the adoption of solar air heaters (SAH) in sunny and low‐income areas. These parameters can have a significant impact on promoting the use of these devices. In this study, solar air heating was designed with the objective of achieving the highest possible efficiency/cost ratio. It is a corrugated channel SAH whose structure is equipped with two barriers perforated with a sufficient number of holes for a good airflow distribution. A new model was developed to evaluate the qualitative parameters that describe the thermos‐energetic behavior of a heating system. These parameters were measured using experimental data obtained under real operating conditions. The thermal model assumes a uniform temperature for the glass, absorber, and insulation of the collector, while the temperature of the circulating air is assumed to vary linearly along the collector. To ensure that these assumptions were valid, the collector was cut into a number of 0.1 m sections in the direction of flow. By comparing the numerical results with the experimental data, the model was validated and then used to calculate the temperature profiles of the different elements of the collector, as well as to estimate the impact of certain operational parameters on its thermal performance. Relative percentage error values, between the numerical and the experimental results, of 1.7517%, 1.0750%, 0.8577%, 2.2371%, and 2.3637% for absorber plate temperature, outlet airflow temperature, useful power, thermal, and effective efficiencies, respectively, are recorded.
A note on free cashflow analysis: Theory versus practice
Authors: Grossmann Axel , Johnston Ken , Hatem John J. 
Published: December 2023

AbstractIn this note, we compare the methodologies in academic textbooks and the CFA practitioner's guide while demonstrating which academic approach provides the most consistent valuation metric with practitioners. There are many differences when it comes to the items or approaches considered for free cash flow calculations. Some differences, however, are related to the purpose of the calculated free cash flow, for example, the actual free cash flow a company generates during a certain year versus the free cash flow for firm valuation purposes. This note attempts to address this gap and may serve as a guide to faculty as well as practitioners. In what follows, different expositions of the free cash flow model are explored and compared.