bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and Synthesis of Novel 1‐((1‐Phenyl‐1H‐1,2,3‐triazol‐4‐yl)methyl)pyridin‐2(1H)‐one Derivatives
Authors: Keskin Selbi 
Published: August 2023

AbstractThe synthesis of a new class of compounds, namely 1‐((1‐phenyl‐1H‐1,2,3‐triazol‐4‐yl)methyl)pyridin‐2(1H)‐one derivatives starting from 2‐hydroxynicotinic acid was reported. Initially, the carboxylic acid functionality connected to the pyridinone ring was converted to either the ester, amide or aldehyde functionality to obtain the precursor for the propargylation step. The incorporation of a propargyl group into the nitrogen atom of pyridinones was achieved in the presence of K2CO3 as a base. Different organic azides were also synthesized starting from the corresponding aniline derivatives. To obtain target molecules, the facile click cycloaddition reactions of alkynes with aryl azide derivatives in the presence of copper(I) catalyst were applied. Using this protocol, novel 1‐((1‐phenyl‐1H‐1,2,3‐triazol‐4‐yl)methyl)pyridin‐2(1H)‐one derivatives with different substitution patterns were prepared in good to excellent yields under the mild reaction conditions. The structures of the compounds were confirmed by 1D and 2D NMR, FTIR, and HRMS analysis data. Overall, this protocol offers a straightforward method for synthesizing these novel compounds.
Computational Study of Metal‐Organic Frameworks for Hydrogen Sulfide Adsorption: Grand Canonical Monte Carlo and Molecular Dynamics Simulations
Authors: Meng Junqing , Zhou Zihan , Wang Jie , Liang Xin , Fu Hao , Zhan Yunting , Nie Baisheng 
Published: August 2023

AbstractHydrogen sulfide (H2S) is a highly toxic, and flammable acid gas that is widely present in confined spaces. However, conventional adsorption materials are inefficient and have poor reuse properties. Metal‐organic frameworks (MOFs) show potential viability as novel materials in gas adsorption. Herein, mainstream MOFs were investigated based on molecular simulation techniques to explore the differences contributing to H2S adsorption. The adsorption process of H2S in MOFs was simulated by Grand Canonical Monte Carlo (GCMC) method, and the diffusion behavior was investigated based on molecular dynamics (MD) simulations. The results showed that the interaction energy and isosteric heat of adsorption were important criteria for determining the adsorption performance of H2S. The regulation of open metal sites could help to further enhance the adsorption of H2S, and the pore structure of MOFs affected the capture of H2S. A higher self‐diffusion rate implies faster H2S capture. Hydrogen bonds affect the trapping efficiency of MOFs for H2S and the relative positions of ligands in the benzene ring cause subtle differences in adsorption. This study provides design strategies for the improvement of new high‐performing MOFs for H2S adsorption in confined spaces.
A Lysine‐Based System for CO2 Capture and Catalytic Utilization to Produce Formates: Irreproducibility and Conflicting Reactivity
Authors: Wei Duo , Kotwica David , Nardi Giulia , Moazezbarabadi Ayeshe , Spannenberg Anke , Ludwig Ralf , Junge Henrik , Beller Matthias 
Published: August 2023

AbstractRecently, we have investigated the amino acid L‐lysine promoted CO2 capture and in‐situ hydrogenation to produce formate applying ruthenium‐ and manganese‐based catalysts (Chem. Sci. 2021, 12, 6020, Nature Energy 2022, 7, 438). Noteworthy, following this process CO2 can be captured from ambient air and directly converted to formate (TON>50,000). In this Comment, we report how hydrochloride impurities in the amino acid affect the CO2 capture efficiency and therewith lead to an ostensibly different behaviour of D‐ and L‐lysine in the CO2 capture. The results demonstrate the importance of careful analysis of all educts.
A Simple Electroanalytical Method for Detecting Carminic Acid in Foods through a Glassy Carbon Electrode Modified with Chitosan in the Presence of Allura Red
Authors: Nagles Edgar , Rodríguez María A. , Flores‐Velasquez Gabriela , Maldonado García Holger Jelimer , Hurtado John J. 
Published: August 2023

AbstractIn this report, a new method involving glassy carbon electrodes modified with chitosan (Cs) was tested for the detection of carminic acid (CA) in the presence of allure red by square wave voltammetry. The modified electrode (Cs/GCE) presented activity toward the oxidation of CA at potential values less than 0.3 V The signal is generated from the oxidation of carboxylic acid in the chemical structure of CA. Compared to that of the unmodified electrode, the anodic peak current of the Cs/CGE electrode increased by more than 500 %, and the oxidation potential shifted to a lower potential. This result indicates that the sensitivity increases and the energy to oxidize CA decreases with the Cs/GCE. The optimal parameters were pH 3.0 and PBS buffer, the square wave voltammetry with accumulation time was tACC 30 s, the accumulation potential was EACC 0.0 V, the oxidation signal was proportional to the concentration of CA between 0.99 and 10.90 μmol/L, and the detection limit was 0.20 μmol/L. The relative standard deviation (R.S. D) was 5.0 % using five different electrodes. The Cs/GCE was used for food samples spiked with CA with consistent results
A Post‐Spinel NaFeSnO4 as Novel Narrow Band Gap Photocatalyst for Visible Light Assisted Decomposition of Crystal Violet Dye
Authors: Kamble Ajit J. , Vhangutte Pravin P. , Shinde Deepali S. , Madhale Ruth A. , Bhange Pallavi D. , Tayade Shivaji N. , Patil Shivajirao R. , Bhange Deu S. 
Published: August 2023

AbstractSnO2 is a wide bandgap photocatalyst, and Fe2O3 is susceptible to the recombination of photocharges produced is heterogenized in the form of NaFeSnO4. NaFeSnO4 with post‐spinel structure having one‐dimenisonal (1D) channel is explored first time as photocatalyst. Phase purity and structure of NaFeSnO4 was examined using X‐ray diffraction (XRD). Particle morphology, light absorption behavior, band‐gap energy estimation and surface area of NaFeSnO4 were evaluated using various instrumental techniques. Extent of charge separation and charge transfer was investigated using photoluminescence (PL) analysis and electrochemical impedance spectroscopy (EIS). Photocatalytic performance of NaFeSnO4 was examined for degradation of crystal violet dye by irradiating visible light. The photocatalytic properties of NaFeSnO4 are compared with the precursor oxides Fe2O3 and SnO2. It has been demonstrated first time that NaFeSnO4 is an efficient visible light active photocatalyst than Fe2O3 and SnO2 for degradation of crystal violet dye.
Constructing CoO/Mo2C Heterostructures with Interfacial Electron Redistribution Induced by Work Functions for Boosting Overall Water Splitting
Authors: Chen Han‐Yang , Yang Lei , Wang Rong‐Xu , Zhang Wen‐Jie , Liu Rui , Yun Yu‐Zhe , Wang Nan , Ramakrishna Seeram , Jiao Lifang , Long Yun‐Ze 
Published: August 2023

AbstractSpace charge transfer of heterostructures driven by the work‐function‐induced built‐in field can regulate the electronic structure of catalysts and boost the catalytic activity. Herein, an epitaxial heterojunction catalyst of CoO/Mo2C with interfacial electron redistribution induced by work functions (WFs) is constructed for overall water splitting via a novel top‐down strategy. Theoretical simulations and experimental results unveil that the WFs‐induced built‐in field facilitates the electron transfer from CoO to Mo2C through the formed “Co─C─Mo” bond at the interface of CoO/Mo2C, achieving interfacial electron redistribution, further optimizing the Gibbs free energy of primitive reaction step and then accelerating kinetics of hydrogen evolution reaction (HER). As expected, the CoO/Mo2C with interfacial effects exhibits excellent HER catalytic activity with only needing the overpotential of 107 mV to achieve 10 mA cm−2 and stability for a 60‐h continuous catalyzing. Besides, the assembled CoO/Mo2C behaves the outstanding performance toward overall water splitting (1.58 V for 10 mA cm−2). This work provides a novel possibility of designing materials based on interfacial effects arising from the built‐in field for application in other fields.
Active Site Engineering and Theoretical Aspects of “Superhydrophilic” Nanostructure Array Enabling Efficient Overall Water Electrolysis
Authors: Barik Sidharth , Kharabe Geeta Pandurang , Illathvalappil Rajith , Singh Chandrodai Pratap , Kanheerampockil Fayis , Walko Priyanka S. , Bhat Suresh K. , Devi R. Nandini , Vinod C. P , Krishnamurty Sailaja , Kurungot Sreekumar 
Published: August 2023

AbstractThe rational design of noble metal‐free electrocatalysts holds great promise for cost‐effective green hydrogen generation through water electrolysis. In this context, here, the development of a superhydrophilic bifunctional electrocatalyst that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions is demonstrated. This is achieved through the in situ growth of hierarchical NiMoO4@CoMoO4·xH2O nanostructure on nickel foam (NF) via a two‐step hydrothermal synthesis method. NiMoO4@CoMoO4·xH2O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm−2. The NiMoO4@CoMoO4·xH2O/NF ǁ NiMoO4@CoMoO4·xH2O/NF cell can be operated at a potential of 1.60 V compared to 1.63 V displayed by the system based on the Pt/C@NFǁRuO2@NF standard electrode pair configuration at 10 mA cm−2 for overall water splitting. The density functional theory calculations for the OER process elucidate that the lowest ΔG of NiMoO4@CoMoO4 compared to both Ni and NiMoO4 is due to the presence of Co in the OER catalytic site and its synergistic interaction with NiMoO4. The preparative strategy and mechanistic understanding make the windows open for the large‐scale production of the robust and less expensive electrode material for the overall water electrolysis.
High‐Performance Planar Field‐Emission Photodetector of Monolayer Tungsten Disulfide with Microtips
Authors: Tian Yan , Zeng Xiangjun , Xing Yang , Chen Jun , Deng Shaozhi , She Juncong , Liu Fei 
Published: August 2023

AbstractMonolayer tungsten disulfide (ML WS2) is believed as an ideal photosensitive material due to its small direct bandgap, large exciton/trion binding energy, high carrier mobility, and considerable quantum conversion efficiency. Compared with other photosensitive devices, planar field emission (FE)‐type photodetectors with a full‐plane structure should simultaneously have rapider switching speed and lower power consumption. In this work, ML WS2 microtips are fabricated by electron beam lithography (EBL) way and used to construct a planar FE‐type photodetector. By optimization design, ML WS2 with three microtips can exhibit the maximum current density as high as 52 A cm−2 (@300 V µm−1), and the largest photoresponsivity is up to 6.8 × 105 A W−1 under green light irradiation, superior to that of many other ML transition metal dichalcogenide (TMDC) detectors. More interestingly, ML WS2 devices with microtips can effectively solve the contradictory problem between large photoresponsivity and rapid switching speed. The excellent photoresponse performances of ML WS2 with microtips should be attributed to their high carrier mobility, sharp emission edge, ultrahigh quantum yield, and unique planar FE device structure. Our research may shed new light on exploring the fabrication technology and photosensitive mechanism of two dimensional (2D) material‐based planar FE photodetectors.
The protective effect of crocin against testicular toxicity induced by ionizing radiation via AKT/FOXO pathway
Authors: El‐Sheikh Marwa M. , Aziz Maha M. , Abdelrahman Sahar S. M. , Mohmad Marwa Abd El Hameed 
Published: August 2023

AbstractCrocin, a pharmacologically active component of Crocus sativus L. (saffron), has been informed to be beneficial in the treatment of stress‐related oxidative impairment. In the present study, we examined the protective role of crocin against testicular damage induced by radiation (acute and fractionated) and the alteration of the AKT/FOXO signaling pathway. Male Wister albino rats were exposed to acute dose of 6 Gy and a fractionated dose of gamma radiation (2 Gy every 2 days up to 6 Gy total doses). Rats were pretreated intraperitoneally with crocin in a dose of 50 mg/kg for seven consecutive days prior to exposure to irradiation at a level of 6 Gy and during the fractionated irradiation of rats. Control groups were run concurrently. Ionizing radiation caused changes in the level of oxidative stress biomarkers manifested as elevation of thiobarbituric acid reactive substance, total nitrate/nitrite and reactive oxygen species (ROS) associated with a decrease in catalase as well as in the level of inflammatory parameters (decrease in expression of Nrf2 which was related to a significant increase in expression of NF‐κB p65). Irradiation produced cellular damage characterized by an increase in serum lactate dehydrogenase. These findings were aligned with increased expression of the forkhead box O‐1 (FOXO‐1) and activation of protein kinase B (AKT) pathway. Irradiation of rats led to reduction in serum testosterone level and testicular weights. Pretreatment with the indicated dose of crocin shielded against the changes in all the evaluated parameters. Administration of crocin can be introduced as a novel preclinical approach for regulation of testicular damage induced by radiation; via controlling the ongoing oxidative stress and inflammatory reaction as well as activation FOXO/AKT signaling pathway.
Transcriptional factor BRD4 promotes the stemness of esophageal cancer by activating the nuclear PD‐L1/RelB axis
Authors: Li Shouguo , Guo Qunhuang , Guo Ruixiang , Xu Hui 
Published: August 2023

AbstractEsophageal cancer (EC) is a prevalent malignancy associated with therapeutic resistance and poor prognosis. This study investigates the role of programmed death‐ligand 1 (PD‐L1) in esophageal cancer stem cell (ECSC) formation. ECSCs were enriched and characterized using various assays. We found that both PD‐L1 and bromodomain‐containing protein 4 (BRD4) were upregulated in ECSCs, promoting their stemness. Inhibiting BRD4 suppressed ECSC markers expression and sphere formation. Furthermore, BRD4 inhibitors downregulated membrane and nuclear PD‐L1 levels, with knockdown of PD‐L1 inhibiting ECSC formation. PD‐L1 degraders also affected PD‐L1 and its downstream effector RelB expression. Moreover, inhibiting RelB influenced sphere formation through interleukin‐6 expression. This study reveals the critical role of the BRD4/nuclear PD‐L1/RelB axis in ECSC formation, highlighting nuclear PD‐L1 as a potential immunotherapeutic target for refractory EC.
Cross‐reactive carbohydrate determinants in atopic and healthy dogs and their influence on allergy test specificity
Authors: Kasper Bettina , Boehm Teresa , Wittenstein Nadine , Mueller Ralf S. 
Published: August 2023

AbstractBackgroundThe selection of allergens for immunotherapy in atopic dogs is often based on serum allergy testing. Cross‐reactive carbohydrate determinants (CCDs) are common structures in plant and insect allergens that reportedly induce polysensitisation, reduce agreement between intradermal and serum tests and complicate allergen selection.MethodsThirty‐four dogs with diagnosed atopic dermatitis and 10 healthy dogs were included in the study. An intradermal test was conducted in atopic dogs, and serum samples from allergic and healthy dogs were analysed for allergen‐specific immunoglobulin E (IgE) before and after inhibition of detectable anti‐CCD‐IgE antibodies.ResultsAnti‐CCD‐IgE antibodies were not found in any of the healthy dogs and no polysensitisation to plant and insect allergens was detected. The agreement between intradermal and serum allergy test results in the atopic dogs with anti‐CCD‐IgE antibodies improved from slight to fair after blocking the anti‐CCD‐IgE antibodies. In addition, blocking clearly reduced polysensitisation to plant allergens but not to acarid allergens.LimitationsOnly a limited number of healthy dogs were tested in this study. A gold standard for determining the clinical relevance of IgE sensitisation does not exist.ConclusionInhibition of anti‐CCD‐IgE antibodies seems to be of importance to improve serum test specificity for allergen‐specific IgE in atopic dogs in relation to intradermal allergy testing.
Chromium Metal Nanoparticles, Their Reactivity and Reactions
Authors: Reiß Andreas , Reimann Maximilian Kai , Popescu Radian , Gerthsen Dagmar , Pöttgen Rainer , Feldmann Claus 
Published: August 2023

AbstractZerovalent chromium nanoparticles (2.2±0.2 nm in size) are prepared in the liquid phase (THF) by reduction of CrCl2 with lithium naphthalenide ([LiNaph]). The deep black Cr(0) nanoparticle suspensions in THF are colloidally and chemically highly stable. On the other hand, the Cr(0) nanoparticles are highly reactive, e. g., when in contact to O2, H2O, or other oxidizing agents. To probe the reactivity of the Cr(0) nanoparticles in the liquid phase near room temperature (50–80 °C), they are reacted with different coordinatively demanding, N−H, S−H or O−H acidic reactants. This includes the amines 2,2′‐dipyridylamine (HDPA), 2‐(1H‐imidazol‐2‐yl)pyridine (HImPy) and carbazole (HCbz), the thiol 2‐mercaptopyridine (HMPy), and benzoic acid (HBz) as a carboxylate. As a result, the five novel compounds [Cr(DPA)3], [Cr(ImPy)3] ⋅ HImPy, [Cr(MPy)3] ⋅ 0.5 Tol (Tol: toluene), [Na2Cr(Cbz)4(THF)3], and [Cr2(Bz)4(THF)2] are obtained. [Cr(DPA)3] and [Cr(ImPy)3] ⋅ HImPy show Cr(III) coordinated by nitrogen only; [Cr(MPy)3] ⋅ 0.5 Tol shows a coordination of Cr(III) by both N and S atoms. [Na2Cr(Cbz)4(THF)3] and [Cr2(Bz)4(THF)2] contain Cr(II) and exhibit an infinite chain‐like structure and pairs of chromium atoms with fourfold binding.
General Introduction: A Study of Mediterranean Populations
Authors: Doignon Yoann , Blöss-Widmer Isabelle , Ambrosetti Elena , Oliveau Sébastien 
Published: August 2023

AbstractThe Mediterranean region has been much studied by human and social sciences. The length of its written history, and the variety of civilisations sharing a common history (going back to the Roman mare nostrum), of course, go some way to explaining this wealth of studies. However, the Mediterranean has only recently been studied as a global study area, rather than as separate sub-regions. We note that there is a lack of recent general publications, or writings in general, providing a synthesis or inventory of the various demographic phenomena on a pan-Mediterranean scale. The aim of this publication is to provide an overview and detailed description of the demographic trends of the last 70 years for the populations of the Mediterranean as a whole.
Spatial Distribution of Population and Urbanisation
Authors: Doignon Yoann , Blöss-Widmer Isabelle , Ambrosetti Elena , Oliveau Sébastien 
Published: August 2023

AbstractPopulations are not randomly distributed across the Earth's surface. Some regions are almost empty, while others concentrate with a large proportion of the human population. Analysing the spatial distribution of a population is an exercise involving geography and demography. It takes place on different scales, both global and local, as given the striking uneven distribution of populations in the Mediterranean and all over the world. This chapter will begin by describing the Mediterranean settlement, emphasising the contrasts that exist at different scales, and then identifying regularities and explanatory factors. We will end by looking at the phenomena structuring the contemporary distribution of the population: metropolisation and coastalisation.
Sex Ratio, Age Structure and Population Ageing
Authors: Doignon Yoann , Blöss-Widmer Isabelle , Ambrosetti Elena , Oliveau Sébastien 
Published: August 2023

AbstractIt is vital to examine the population composition, i.e. how the population being studied is structured. In demography, to understand the phenomena studied (firstly, births and deaths), it is common practice to examine the number of women in relation to the number of men and to distinguish the distribution of individuals by age. The most common representation of this gender and age composition is the “age pyramid”. It is important to know the age and gender composition, as this largely determines a population's demographic dynamics. Elements relating to gender and age composition will enable better understanding of the dynamics outlined in the following chapters. In this chapter therefore, we will present the composition of the Mediterranean population from the perspective of sex ratios on the one hand, and the age distribution of populations on the other. We will also consider the implications of differences between countries at the sub-national level.
Family Formation and Dissolution
Authors: Doignon Yoann , Blöss-Widmer Isabelle , Ambrosetti Elena , Oliveau Sébastien 
Published: August 2023

AbstractThe question of the unity of the family models in the Mediterranean has been the subject of much debate in the field of generations history. Some researchers have put forward the much disputed hypothesis of a past unity in the Mediterranean area in relation to marriage and the family. In modern times, however, we are dealing with very heterogeneous situations in this area. A priori, the populations on the different shores of the Mediterranean do not have much in common, with diversified Western family models on one side, and a very specific Arab-Muslim family model on the other. Although different on both sides of the Mediterranean, family models have nevertheless undergone profound changes over the last 70 years: some discuss a “marriage revolution” for the populations of the Southern and Eastern shores, others a second demographic transition in the European countries. In the same way that researchers envisage a convergence of family models in the world towards the Western family model could there be a convergence of Mediterranean family models due to these contemporary family changes? Without directly answering this question, this chapter will attempt to provide some food for thought. Therefore, among the many possible elements for analysing family models, we decided to focus on the formation and dissolution of marriages. We will present the evolution of demographic indicators relating to these two phenomena, starting with marriage and divorce rates, followed by indicators relating to age at marriage and the significance of permanent celibacy. Unlike, the other demographic phenomena, we were unable to use the large international databases to study all the Mediterranean countries since 1950 for these family formation and dissolution related topics. We had to instead collate data from different data providers to create long series.