Pure and Applied Chemistry最新文献_第2页

Synthesis, characterization and antioxidant screening of a 1,10-phenanthroline-based tetraza-macrocyclic ligand and its nickel complex with therapeutic potential and catalytic significance 具有治疗潜力和催化作用的 1,10-菲罗啉基四氮杂大环配体及其镍配合物的合成、表征和抗氧化筛选

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-17 DOI: 10.1515/pac-2024-0212

Emmanuel C. Ohaekenyem, Ikenna Onyido

{"title":"Synthesis, characterization and antioxidant screening of a 1,10-phenanthroline-based tetraza-macrocyclic ligand and its nickel complex with therapeutic potential and catalytic significance","authors":"Emmanuel C. Ohaekenyem, Ikenna Onyido","doi":"10.1515/pac-2024-0212","DOIUrl":"https://doi.org/10.1515/pac-2024-0212","url":null,"abstract":"In this study, we present a synthetic route for the preparation of a novel 1,10- phenanthroline-based tetraza-macrocyclic ligand, 5,12,25,28-tetraazaheptacyclo [14.8.4.2⁴,⁷.210,13.0⁶,11.019,27.022,26]dotriaconta-1 (25),4,6,8,10,12,16(28),17,19(27),20,22(26),23,29, 31-tetradecaene, 3 and its corresponding nickel complex, (28Z)-1,3,6,31-tetraaza-2-nickelaoctacyclo [17.9.3.2⁷,28.0³,16.0⁴,13.0⁵, 10.022,30.025,29]tritriaconta-4(13),5(10),6,8,11,14,16,19(31),20,22(30), 23,25(29),26,28(32)-tetradecaene, 8. The ligand was synthesized via a condensation reaction involving 2,9-dimethyl-1,10-phenanthroline and 2,9-dicarbaldehyde-1,10 phenanthroline, followed by nickel metal complexation. Fourier-transformed infrared (FT-IR) spectroscopy, gas chromatography-mass spectrometry (GC-MS), 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, and thermal analyses were employed to characterize the ligand and its Ni complex. Their ADMET parameters and potential macromolecular targets calculations showed they have therapeutic potentials. The antioxidant assay shows that Ni-complex is approximately 9 times more potent than the ligand with IC50 values of 0.045 mg/ml and 0.404 mg/ml, respectively. Their microspecies distribution which was predicted using ChemAxon Predictor revealed their catalytic potentials The reaction mechanisms involved are discussed. The 1,10-phenanthroline-based macrocyclic ligand and its nickel complex significantly expand the structural diversity within the tetraza-macrocyclic ligand system and serve as base ligands for the development of possible derivatives, with concomitant applicability in drug development and catalysis.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141745999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Comprehensive evaluation of physical properties and carbon dioxide capacities of new 2-(butylamino)ethanol-based deep eutectic solvents 全面评估新型 2-(丁氨基)乙醇基深共晶溶剂的物理性质和二氧化碳容量

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-17 DOI: 10.1515/pac-2024-0228

Bartosz Nowosielski, Marzena Jamrógiewicz, Iwona Cichowska-Kopczyńska, Dorota Warmińska

{"title":"Comprehensive evaluation of physical properties and carbon dioxide capacities of new 2-(butylamino)ethanol-based deep eutectic solvents","authors":"Bartosz Nowosielski, Marzena Jamrógiewicz, Iwona Cichowska-Kopczyńska, Dorota Warmińska","doi":"10.1515/pac-2024-0228","DOIUrl":"https://doi.org/10.1515/pac-2024-0228","url":null,"abstract":"The aim of this research was to assess the impact of the components of alkanolamine deep eutectic solvents (DESs) on the physical properties of those DESs and their carbon dioxide capacity. To achieve this goal, novel deep eutectic solvents were synthesized by using 2-(butylamino)ethanol (BAE) as the hydrogen bond donor (HBD), along with tetrabutylammonium bromide TBAB), tetrabutylammonium chloride (TBAC), or tetraethylammonium chloride (TEAC) as the hydrogen bond acceptors (HBA) at various molar ratios (1:6, 1:8, and 1:10). To confirm the presence of hydrogen bond interactions between the components Fourier Transform Infrared Spectroscopy measurements were conducted. Furthermore, thermal properties, including melting points and thermal stability, of these deep eutectic solvents as well as key physical properties, such as density, viscosity, refractive index, and sound velocity, within the temperature range of 293.15–333.15 K and at a pressure of 0.1 MPa were examined. The effect of the molar ratio of HBA to HBD, the type of anion, and the length of the alkyl chain were studied and analysed in regard to physicochemical properties. In this work, the solubility of carbon dioxide in DESs derived from 2-(butylamino)ethanol, 3-aminopropan-1-ol (AP), and 2-(methylamino)ethanol (MAE) was measured. The highest CO2 capacity was found for TEAC:MAE 1:10 DES characterized by the shortest alkyl chain length in both HBA and HBD molecules, the highest amine content, and the lowest viscosity. Additionally, the effect of water addition on carbon dioxide solubility was explored. The results showed that the influence of water on CO2 solubility varies with the type of DES. In general, this work highlighted that DESs can serve as effective media for carbon dioxide capture, and their performance can be tailored by changing the type of hydrogen bond acceptor or donor, their molar ratio and by the addition of water.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

New half sandwich complexes of ruthenium(ii) and iridium(iii). Study of their toxicity against Hela 钌(ii)和铱(iii)的新型半三明治配合物。研究它们对 Hela 的毒性

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-12 DOI: 10.1515/pac-2024-0224

Alfonso Canales-Martínez, Rosa M. Pérez-Pastor, Gabriel García

引用次数: 0

Renewable carbon resource from biomass: building molecular architectures from furanic platforms 生物质中的可再生碳资源：利用呋喃平台构建分子结构

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-12 DOI: 10.1515/pac-2024-0230

Gloria V. López, Williams Porcal

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Positional microstates and probability fields in real systems 真实系统中的位置微态和概率场

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-12 DOI: 10.1515/pac-2024-0221

Dennis Tolley, Brian F. Woodfield, Lee D. Hansen

{"title":"Positional microstates and probability fields in real systems","authors":"Dennis Tolley, Brian F. Woodfield, Lee D. Hansen","doi":"10.1515/pac-2024-0221","DOIUrl":"https://doi.org/10.1515/pac-2024-0221","url":null,"abstract":"A previously published paper provided six examples of spontaneous processes for ideal systems that cannot be explained using classical thermodynamics. These six examples include free expansion of an ideal gas, mixing of ideal gases, diffusion of an ideal solute, mixing of ideal solutes, osmosis with ideal solutions, and free discharge of a concentration battery with ideal solutions. The previous paper demonstrated how energy was not a driving force in any of these examples and then proceeded to develop a positional entropy model, S D, that explains why these spontaneous processes occur. This new paper provides a method for calculating positional entropy, S D, for the same six systems, but for real particles that include nonzero volumes, particles with different volumes, and particles with different particle-particle interactions. The important outcome of this work shows that spontaneous discharge of these six example systems, either for ideal or real particles, is the result of a probability field created by the non-equilibrium distribution of the microstates that exists after the constraints on the system are changed, e.g., by removal of a separating partition or the shorting of a concentration cell. The probability field biases the movement of the particles toward the equilibrium distribution, where the bias is a consequence of an increased probability and not because of a decrease in energy. An additional conclusion of this work shows that the discharge of the probability field to the final equilibrium distribution of positional microstates removes the potential energy in the system but does not violate the law of conservation of energy.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Overview of marine radionuclides from sampling to monitoring 从取样到监测的海洋放射性核素概述

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-12 DOI: 10.1515/pac-2023-1010

Suresh Sagadevan, Joon Ching Juan

引用次数: 0

Terms of Latin origin relating to sample characterization (IUPAC Technical Report) 与样品表征有关的拉丁术语（国际理论化学和应用化学联合会技术报告）

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-07-11 DOI: 10.1515/pac-2022-1103

Vanessa K. Peterson, Matteo Bianchini, Karena W. Chapman, Martina Elice, David Brynn Hibbert, Paul Roche, Luigi Silvano, Lorenzo Stievano

{"title":"Terms of Latin origin relating to sample characterization (IUPAC Technical Report)","authors":"Vanessa K. Peterson, Matteo Bianchini, Karena W. Chapman, Martina Elice, David Brynn Hibbert, Paul Roche, Luigi Silvano, Lorenzo Stievano","doi":"10.1515/pac-2022-1103","DOIUrl":"https://doi.org/10.1515/pac-2022-1103","url":null,"abstract":"The use of Latin origin terms, relevant for sample characterization modalities, is described with a focus on samples under controlled conditions, samples within devices, and samples during physico-chemical evolution. The terms in vitro, in vivo, in situ, ab initio, in silico, post mortem, ex situ, posthumous, in vacuo, (in) operando, post facto, and ex post facto, as used in the scientific literature, are considered. Uses of the Latin origin terms in situ, extra situm, in operando, in vivo, in vacuo, in vitro, extra vivum, post facto and ex post facto, ab initiis, computatro, and post mortem are discussed. It is suggested that these terms are to be used without hyphenation and that all Latin derived terms are set in italic font.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Glossary of terms used in biochar research (IUPAC Technical Report) 生物炭研究术语表（国际理论化学和应用化学联合会技术报告）

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-06-29 DOI: 10.1515/pac-2021-0106

Fotis Bilias, Divine Damertey Sewu, Seung Han Woo, Ioannis Anastopoulos, Frank Verheijen, Johannes Lehmann, Wenceslau Geraldes Teixeira, Dionisios Gasparatos, Kathleen Draper, Dimitrios Kalderis

{"title":"Glossary of terms used in biochar research (IUPAC Technical Report)","authors":"Fotis Bilias, Divine Damertey Sewu, Seung Han Woo, Ioannis Anastopoulos, Frank Verheijen, Johannes Lehmann, Wenceslau Geraldes Teixeira, Dionisios Gasparatos, Kathleen Draper, Dimitrios Kalderis","doi":"10.1515/pac-2021-0106","DOIUrl":"https://doi.org/10.1515/pac-2021-0106","url":null,"abstract":"Biochar is the solid carbonaceous product of biomass pyrolysis. The properties of biochar depend on the biomass feedstock as well as the pyrolysis temperature and time. Therefore, biochars with different properties and functionalities can be produced. Biochar research has been intensive in the past 15 years, focusing mainly on soil applications, wastewater treatment, and contaminant remediation. However, a formal definition of biochar and related terms is missing, which hinders the standardization of scientific results worldwide and the scaling-up of research at the industrial level. Furthermore, an official terminology may promote the development of a harmonized legal framework for biochar production and applications, both at regional and national levels. This glossary of terms consists of 178 scientifically sound definitions of the most commonly used terms in biochar research. The definitions of this glossary are interconnected, allowing the reader to further explore the synergies between terms. The distribution of terms reflects the multidisciplinarity of biochar research: chemistry, material science and engineering, and soil science are the main disciplines represented here. The list of terms is by no means exhaustive and the strategic objective of this effort is to develop a dynamic document in which more terms will be added in the future, and the existing ones will be refined, as biochar research evolves.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141529513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Perovskite: a key structure for a sustainable hydrogen economy 透镜：可持续氢经济的关键结构

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-06-27 DOI: 10.1515/pac-2023-1016

Alessandra Sanson

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African Early Career Chemists Workshop & 8th Annual Symposium of the American Chemical Society, Nigeria International Chapter 2023 非洲早期职业化学家讲习班暨美国化学学会尼日利亚国际分会第 8 届年度研讨会 2023 年

IF 1.8 4区化学

Pure and Applied Chemistry Pub Date : 2024-06-25 DOI: 10.1515/pac-2024-2005

Nnanake-Abasi O. Offiong, Akwaowo I. Inyangudoh

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