bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gamification for sustainable consumption: A state‐of‐the‐art overview and future agenda
Authors: Lim Weng Marc , Das Manish , Sharma Wamika , Verma Aastha , Kumra Rajeev 
Published: November 2024

AbstractUnsustainable consumption is a pressing issue requiring innovative solutions. Gamification is a promising approach with the potential to drive a shift toward sustainable consumption. This study delivers a state‐of‐the‐art overview of gamification as a strategy for sustainable consumption, shedding light on its role at the intersection of environmental sustainability, sustainability education, sustainable behavioral changes, sustainable living, sustainable tourism, and workplace sustainability, underscoring that sustainable consumption (e.g., energy) is not only personal but also professional. This study also offers a rich organizer of antecedents (game mechanics, incentives and mechanisms, social dynamics, sustainability focus, and user experience), mediators and moderators (psychographic and socio‐cultural), controls (demographic and contextual), and outcomes (behavioral changes, consumption patterns, and psychographic shifts), alongside relevant theories and methods, to provide a finer‐grained, toolbox‐like understanding of gamification for sustainable consumption. This study concludes with avenues for future research to drive new frontiers where gamification can contribute to sustainable consumption, and by extension, the United Nations Sustainable Development Goal (SDG) 12 on Responsible Consumption and Production.
Delving into the influence of sustainability strategy: Exploring the influence of sustainability committees on company performance
Authors: Tron Alberto , Colantoni Federico , Celentano Nunzio , Caputo Andrea 
Published: November 2024

AbstractThis research delves into the connection between companies' adoption of sustainability strategies and the consequent effects this has on their overall performance. Based on a global panel of companies listed between 2015 and 2021, utilizing panel data analysis with fixed effects regression, the findings indicate that a genuinely implemented sustainable strategy significantly contributes to the enhancement of firm performance. Moreover, the efficacy of the sustainable strategy is shaped by its incorporation into ownership structures characterized by dispersed ownership, highlighting the pivotal role of board independence in fostering value creation. The study reveals variations specific to each sector, challenging the applicability of a universal approach across all industries. The findings highlight the importance of these approaches in cultivating favorable environmental results, emphasizing the vital links between environmentally sustainable business practices, strategic decision‐making, and their impact on the environment.
Using large language models (ChatGPT, Copilot, PaLM, Bard, and Gemini) in Gross Anatomy course: Comparative analysis
Authors: Mavrych Volodymyr , Ganguly Paul , Bolgova Olena 
Published: November 2024

AbstractThe increasing application of generative artificial intelligence large language models (LLMs) in various fields, including medical education, raises questions about their accuracy. The primary aim of our study was to undertake a detailed comparative analysis of the proficiencies and accuracies of six different LLMs (ChatGPT‐4, ChatGPT‐3.5‐turbo, ChatGPT‐3.5, Copilot, PaLM, Bard, and Gemini) in responding to medical multiple‐choice questions (MCQs), and in generating clinical scenarios and MCQs for upper limb topics in a Gross Anatomy course for medical students. Selected chatbots were tested, answering 50 USMLE‐style MCQs. The questions were randomly selected from the Gross Anatomy course exam database for medical students and reviewed by three independent experts. The results of five successive attempts to answer each set of questions by the chatbots were evaluated in terms of accuracy, relevance, and comprehensiveness. The best result was provided by ChatGPT‐4, which answered 60.5% ± 1.9% of questions accurately, then Copilot (42.0% ± 0.0%) and ChatGPT‐3.5 (41.0% ± 5.3%), followed by ChatGPT‐3.5‐turbo (38.5% ± 5.7%). Google PaLM 2 (34.5% ± 4.4%) and Bard (33.5% ± 3.0%) gave the poorest results. The overall performance of GPT‐4 was statistically superior (p < 0.05) to those of Copilot, GPT‐3.5, GPT‐Turbo, PaLM2, and Bard by 18.6%, 19.5%, 22%, 26%, and 27%, respectively. Each chatbot was then asked to generate a clinical scenario for each of the three randomly selected topics—anatomical snuffbox, supracondylar fracture of the humerus, and the cubital fossa—and three related anatomical MCQs with five options each, and to indicate the correct answers. Two independent experts analyzed and graded 216 records received (0–5 scale). The best results were recorded for ChatGPT‐4, then for Gemini, ChatGPT‐3.5, and ChatGPT‐3.5‐turbo, Copilot, followed by Google PaLM 2; Copilot had the lowest grade. Technological progress notwithstanding, LLMs have yet to mature sufficiently to take over the role of teacher or facilitator completely within a Gross Anatomy course; however, they can be valuable tools for medical educators.
Convergent Synthesis, Kinetics, and Computational Studies of Indole(Phenyl)Triazole Bi‐Heterocycles Modified With Propanamides as Elastase Inhibitors
Authors: Shakila  , Abbasi Muhammad Athar , Aziz‐ur‐Rehman  , Siddiqui Sabahat Zahra , Nazir Majid , Muhammad Shabbir , Raza Hussain , Shah Syed Adnan Ali , Shahid Muhammad , Chaudhry Aijaz Rasool , Kim Song Ja 
Published: November 2024

ABSTRACTBiological screening combined with the synthesis of heterocyclic compounds with numerous functions is the most effective approach available for pharmacological assessment of potential future medications. In the under taken research that is presented here, 4‐(1H‐indol‐3‐yl)butanoic acid was sequentially converted into 4‐(1H‐indol‐3‐yl)butanoate, 4‐(1H‐indol‐3‐yl)butanohydrazide, and 5‐[3‐(1H‐indol‐3‐yl)propyl]‐1,2,4‐triazole‐2‐thiol as a nucleophile. By treating aryl amines with 3‐bromopropanoyl chloride in a series of parallel reactions, different electrophiles were created, leading to the formation of N‐(aryl)‐3‐bromopropanamides. After that, several electrophiles were used in the nucleophilic substitution process of 5 to produce the final bi‐heterocyclic derivative. The structural confirmation of all the synthesized compounds was done by IR, 1H‐NMR, 13C‐NMR, and CHN analysis data. The enzyme inhibitory effects of these bi‐heterocyclic propanamides were evaluated against elastase, and all these molecules were identified as potent inhibitors relative to the standard oleanolic acid with IC50 value 13.453 ± 0.015 µM used. The kinetics mechanism was ascribed by evaluating the Lineweaver–Burk plots, which revealed that compound 9d inhibited elastase competitively to form an enzyme–inhibitor complex. The inhibition constant Ki calculated from Dixon plots for this compound was 0.51 µM. Compound 9d’s activity (IC50 = 0.142 ± 0.014 µM) significantly increased when a slightly bulky ethyl group was replaced for the solitary methyl group in 9c at the para‐position. However, compound 9e’s activity was significantly lower (IC50 = 38.338 ± 0.993 µM) when a more polar ethoxy group was replaced at the same para‐position. This was likely because of electronic considerations. These molecules also exhibited mild cytotoxicity toward red blood cell membranes, when analyzing through hemolysis. So, these molecules might be deliberated as nontoxic medicinal scaffolds for dealing with the elastase‐related ailments such as lung diseases, cyclic neutropenia, pruritic skin disease, and liver infection.
Natural Flavonoids as Primary Amoebic Meningoencephalitis Inhibitor: Virtual Screening, Molecular Docking, MD Simulation, MMPBSA, Density Functional Theory, Principal Component, and Gibbs Free Energy Landscape Analyses
Authors: Saha Supriyo , Prinsa  , Kawsar Sarkar M. A. 
Published: November 2024

ABSTRACTFlavonoids have been showing diversified bioactivities. Primary amoebic meningoencephalitis is a brain inflammation caused by Naegleria fowleri brain eating amoeba. In this manuscript, we selected 93 flavonoids by extensive literature survey and 83 flavonoids passed drug likeness parameter. Selected flavonoids were molecular docked against primary amoebic meningoencephalitis N. fowleri CYP51 receptor considering voriconazole as standard. Beta naphthoflavone, abyssinone I, and abyssinone III showed maximum docking scores of −10.9 kcal/mol, −10.7 kcal/mol, and −10.6 kcal/mol, respectively, whereas voriconazole showed docking scores of −7.6 kcal/mol. Molecular dynamic simulation data showed that RMSD values attained almost a static value during the simulation, and all nearest interacting amino acid residues were fluctuated within limit. Molecular Mechanics Poisson‐Boltzmann Surface Area (MMPBSA) data of beta naphthoflavone abyssinone I, abyssinone III, and voriconazole showed free binding energies of −82.755 kJ/mol, −1924.193 kJ/mol, −1890.335 kJ/mol, and −540.141 kJ/mol, respectively. Frontier molecular orbital (FMO) analysis showed that abyssinone III was the chemically reactive molecule and beta naphthoflavone showed maximum electrophilicity. Molecular electrostatic potential (MEP) analysis portrayed possible nucleophilic‐electrophilic attack areas of the structures. PCA and free energy landscape (FEL) analysis data confirmed the stable conformations between flavonoids and receptor. Abyssinone I and III showed nontoxic behavior. These data confirmed that if we repurpose these flavonoids against primary amoebic meningoencephalitis, it will be beneficial for mankind.
Investigation of the Apoptotic and Antimetastatic Effects of Nano‐Niosomes Containing the Plant Extract Anabasis setifera on HeLa: In Vitro Cervical Cancer Study
Authors: Ebadi Mahya , Kavousi Mahsa , Farahmand Mahnaz 
Published: November 2024

ABSTRACTThe present study focuses on the preparation of niosomes containing an extract of Anabasis setifera and evaluates their efficacy in inhibiting the growth and proliferation of HeLa cells. Thin‐layer hydration technique was used to prepare niosomes/extract nanoparticles (NPs). The physicochemical properties of the synthesized NPs were confirmed by scanning electron microscope (SEM), dynamic light scattering (DLS), zeta potential analysis, and FTIR. The cytotoxicity of the free extract, free niosome, and NPs was investigated by MTT (3‐(4, 5‐diMethylThiazol‐2‐yl)‐2,5‐diphenylTetrazolium bromide) assay. For this purpose, solutions of the three mentioned agents were prepared and diluted in 400, 200, 100, 50, 25, 12.5, and 6.25 µg/mL concentrations and incubated for 24, 48, and 72 h. After calculating the IC50 concentration and treating the cells with this concentration, real‐time polymerase chain reaction (PCR) (to measure changes in the expression of apoptosis and metastasis genes), flow cytometry (to determine the amount of early and late induced apoptosis), and cell cycle test (to determine the stopping stage of the cancer cell division cycle) were performed. Moreover, the scratch test (the ability to inhibit cell metastasis after treatment) was used to evaluate cell migration. The MTT assay results showed that 72 h of treatment with NPs has the greatest effect on the death of cancer cells. Real‐time PCR showed that the expression of the Bad gene increased dramatically and the expression of the BCL‐XL, integrin alpha 5 (ITGA5), and zinc finger E‐box‐binding homeobox 1 (ZEB‐1) genes decreased significantly. The flow cytometry results showed that 48.64% of HeLa cells underwent apoptosis after treatment with synthesized NPs. The scratch test results showed that cancer cell metastasis stopped after treatment with NPs. The research demonstrates the significant potential of plant extract‐loaded niosomes, as highly efficient drug carriers for cancer therapy.
Two Chroman Type Polyketides From Trichoderma sp. YUD24002 Associated With Aconitum
Authors: Zi Zhi‐Feng , Xie Fei , Wang Wen‐Jing , Xia Dan‐Dan , Wan Dai‐Yu , Geng Yan , Dong Hai‐Xia , Gao Yu‐Hong , Zhou Hao , Ma Ling 
Published: November 2024

ABSTRACTTwo previously undescribed chroman‐type polyketides, trichrontides A (1) and B (2), along with four known homologous compounds, were isolated from the endophytic fungus Trichoderma sp. YUD24002, which was associated with Aconitum forrestii Stapf. Their structures were confirmed using NMR and HR‐ESI‐MS techniques. Furthermore, the absolute configurations of the two new compounds were elucidated through TDDFT ECD calculations and Mosher's methods. Notably, compound 1 exhibited significant antifungal activity against Alternaria panax, with a minimum inhibitory concentration (MIC) of 16 µg/mL, while compound 2 demonstrated evident antifungal activity against Epicoccum nigrum, with a MIC of 32 µg/mL.
Boosting Furfural Hydrogenation Performance of Confined Co‐Based Composites Derived From ZIF‐67 via a Surfactant‐Assisted Pyrolysis Strategy
Authors: Huai Mengbo , Li Xiaomeng , Zhang Ying , Qin Xiaomei , Zhang Yifei , Qin Xiaoyun , Liu Yingfan , Liang Xinxin , Li Gao , Zhao Jianbo 
Published: November 2024

AbstractDeveloping chromium‐free and non‐noble metal catalysts with high performance for furfural hydrogenation to high‐value product furfural alcohol is desirable but challenging. Herein we develop and prepare nitrogen‐doping carbon confining cobalt‐based catalysts (Co‐N‐C composites) by a simple pyrolysis process of well‐defined ZIF‐67 MOFs modified with different surfactants (i.e., polyethylene‐polypropylene glycol (F127), polyvinyl pyrrolidone (PVP), cetyltrimethylammonium bromide (CTAB) in this work). The in situ formed carbon shell from F127 surfactants inhibits Co agglomeration during pyrolysis of ZIF‐67 at 800 °C, thus affording abundant active CoNx species and metallic Co clusters, which is confirmed by high‐resolution transmission electron microscopy (HR‐TEM) and X‐ray photoelectron spectroscopy (XPS). The rich mesopore structures in Co‐N‐C@F1270.3 benefit mass transfer of reactants. Co‐N‐C@F1270.3 catalyst exhibits superior catalytic performance of a 97.2% furfural conversion with a 92.5% selectivity toward furfural alcohol and good durability during the chemoselective furfural hydrogenation, which is mainly attributed to the unique confinement of the in situ generated carbon shell. The surfactant‐assisted pyrolysis strategy provides an efficient and facile way to prepare efficient non‐noble metal catalysts to replace chromium‐based catalysts for furfural hydrogenation to furfuryl alcohol in the future.
Amido‐Triazole Complexes, “Normal” Triazole‐Based Imines and Metallo‐Mesoionic Imines
Authors: Rudolf Richard , Sarkar Biprajit 
Published: November 2024

AbstractMesoionic compounds are hugely popular in fields such as organic chemistry, organometallic chemistry and homogeneous catalysis. A new sub‐class are the mesoionic imines (MIIs). We present here 5‐amino‐4‐pyridyl‐1,2,3‐triazole as a new and versatile synthon for generating first examples of metallo‐MIIs. In this approach, we make use of metallation at the N‐pyridyl/N3‐triazole chelating pocket (instead of quarternisation of N3‐triazole) and subsequent deprotonation to generate highly versatile and tunable metallo‐MIIs. These unprecedented metallo‐MIIs contain a highly nucleophilic N‐donor site, and a tunable electrophilic metal site. Apart from displaying strong and directed H‐bonding interactions like their “classical” MII analogues, the metallo‐MIIs engage in aromatic C−F activation as well as meta−C−H activation reactions. Facile synthesis of homo and heterodincuelar complexes which contain a mixed coordinative saturation/unsaturation with these metallo‐MIIs is presented. Apart from the metallo‐MIIs we have also used 5‐amino‐4‐pyridyl‐1,2,3‐triazole as a precursor to generate the first examples of amido‐1,2,3‐triazole complexes and the first example of a “normal” (and not mesoionic) 1,2,3‐triazole based imine. Our results establish metallo‐MIIs as a versatile new class of mesoionic compounds that combine the modularity of click reactions, with the functionality of metal fragments to generate electronically ambivalent compounds with a huge potential in synthetic chemistry, catalysis and beyond.
A Chalcogenide‐Derived NiFe2O4 as Highly Efficient and Stable Anode for Anion Exchange Membrane Water Electrolysis
Authors: Lee Husileng , Ding Guoheng , Wang Linqin , Sun Licheng 
Published: November 2024

AbstractDeveloping low‐cost, highly active, and durable oxygen evolution reaction (OER) electrodes is one of the critical scientific issues for anion exchange membrane water electrolyzer (AEM‐WE). Herein, we report a vacancy‐rich and alkali‐stable NiFe2O4‐type electrode (named as NiFeOx‐350‐Ov), derived from the chemical‐vapor deposited precursor NiFeSexSy‐350, as an efficient and robust anode material. The obtained electrode affords current densities of 100 and 500 mA cm−2 at overpotentials of 245 and 270 mV, respectively, and displays excellent long‐term durability sustaining 1.0 A cm−2 at least for 1000 h. When coupled with Ni4Mo/MoO2/NF as a hydrogen evolution reaction (HER) catalyst, the resulting platinum‐group metal (PGM)‐free single‐cell AEM‐WE exhibits a cell voltage of 1.71 V at the current density of 1000 mA cm−2 at 80 °C and long‐term durability during a current‐cycling test between 0.5 A cm−2 and 1.0 A cm−2 over 150 h at 60 °C. This work highlights a unique reconstruction strategy for preparing highly active and durable OER catalysts used in PGM‐free AEM‐WE.
Neutral Interface Directed 3D Confined Self‐Assembly of Block Copolymer: Anisotropic Patterned Particles with Ordered Structures
Authors: Wang Mian , Liu Jingye , Mao Xi , Deng Renhua , Zhu Jintao 
Published: November 2024

AbstractThree‐dimensional confined self‐assembly (3D‐CSA) of block copolymers (BCPs) is a distinctive and robust strategy that can yield colloidal polymer particles boasting ordered internal structures and diverse morphologies. The unique advantage of neutral interface lies in its ability to create anisotropic particles with surface patterns. The resulting unique polymer particles exhibit deformability under swelling, coupled with excellent spreadability and optical properties. These particles can also be used for fabrication of anisotropic nanoobjects or mesoporous particles via disassembly or serving as templates. This review comprehensively outlines the research advancements in neutral interface‐guided 3D‐CSA systems, including surfactant engineering, internal structure control, properties and future possibilities of anisotropic patterned particles.
Recent Advances of Terpenoids with Intriguing Chemical Skeletons and Biological Activities
Authors: Zang Yi , Sun Ruo‐nan , Feng Ran‐qi , Zhu Hong‐hui , Li Xu‐wen 
Published: November 2024

Comprehensive SummaryTerpenoids are a large and diverse family of secondary metabolites that have gained more attention from chemists and pharmacologists for their intriguing skeletons and broad biological activities, including anti‐inflammatory, antitumoral, antimicrobial, and anti‐viral effects. Based on the previous reviews, this review comprehensively summarized recent advances on bioactive terpenoids, focusing on their intriguing structural features and promising biological activities, covering literature from 2020 to 2023. In this review, 532 terpenoids with remarkable chemical architectures and biological properties are classified into sesquiterpenoids (142), diterpenoids (129), sesterterpenoids (24), triterpenoids (52), and meroterpenoids (185), that were isolated from terrestrial and marine resources. This review would provide a reference for researchers to rapidly discover the interesting terpenoids for further study as promising drug leads.
Deciphering the Biosynthetic Logic for C14 Oxidative Modifications of Polycyclic Tetramate Macrolactams
Authors: Jiang Peng , Jin Hongbo , Zhang Wenjun , Tang Wei , Jiang Xiaodong , Zhu Yiguang , Wang Ying , Zhang Liping , Zhang Changsheng 
Published: November 2024

Comprehensive SummaryPolycyclic Tetramate Macrolactams (PoTeMs) are a family of structurally complex natural products with significant bioactivities. Most of the widespread biosynthetic gene clusters (BGCs) of PoTeMs in bacteria remain silent under normal fermentation conditions. Herein, we report the construction of an efficient chassis (306A) to facilitate the heterologous studies of PoTeM BGCs, which reveals a biosynthetic logic for sequential C14 modifications of PoTeMs through characterizing a PoTeM gene cluster (fla) from marine‐derived Streptomyces falvogriseus SCSIO 40032. The C14 hydroxylation was mediated by flavin‐dependent oxidoreductase FlaB1 when catalyzing the crucial C6—C13 cyclization, which was supported by feeding and 18O2 labeling studies; the C14‐OH groups in 5/5/6‐type PoTeMs are subsequently converted to ketones by the cytochrome P450 enzyme FlaD. The FlaD homologs FtdF and SSHG_05717 were assayed to show similar functions as FlaD. Besides, the crystal structure of pactamide N (5) provides a critical reference for determining the absolute configuration of 5/5/6‐type PoTeMs lacking C14 modifications. This study not only affords an efficient chassis for studying silent PoTeM BGCs, but also provides insights into the biosynthetic logic for C14 oxidative modifications of predominant 5/5‐ and 5/5/6‐type PoTeMs.
Protocol: What works to increase the use of evidence for policy decision‐making: A systematic review
Authors: Nduku Promise , Ategeka John , Madonsela Andile , Mdlalose Tanya , Stevenson Jennifer , Shisler Shannon , Pande Suvarna , Mahlanza‐Langer Laurenz 
Published: November 2024

AbstractThis is the protocol for a Campbell systematic review. The objectives are as follows: Our aim is to collect, assess, and synthesise all the available empirical evidence on what works to support evidence‐informed decision‐making by policymakers. In doing so, we will aim to answer the following research questions: What are the impacts of interventions to support evidence‐informed decision‐making by policymakers? What are the factors which have influenced the impact of these interventions, and their design and implementation in low‐ and middle‐income countries? In answering these questions, our goal is to estimate the overall impact and relative effectiveness of different interventions, identify factors or configurations of factors that support or hinder their effectiveness in low‐ and middle‐income countries and to identify gaps and areas for future primary research.
Artificial Ion Transporters as Potent Therapeutics for Channelopathies
Authors: Huang Wei , Jia Chunyan , Ren Changliang 
Published: November 2024

AbstractIon channels are essential for the selective transport of ions, playing a fundamental role in critical physiological processes. Dysfunctions in these channels, often arising from genetic mutations or environmental factors, give rise to a class of disorders collectively known as channelopathies. In recent years, artificial ion transporters have been developed to mimic the essential function of natural channels, offering potential therapeutic approaches for these conditions. Although significant progress has been made in improving the activity and selectivity of these synthetic transporters, their application in treating diseases associated with ion transport dysregulation remains in its infancy. This concept provides an overview of recent advancements in artificial ion transporters for treating channelopathies, while highlighting the key challenges and prospects in translating these developments into practical therapies.