Mohd Hafiz Zainol, Raa Khimi Shuib, Ismail Ibrahim, Fairul Sharin Abd Razak, Noor Faezah Mohd Sani, Trans Dai Lam
Natural rubber (NR) is a complex material that is often discarded due to its three-dimensional structure. Recycling of rubber is difficult due to its complex structure, and only 1.7 million tonnes of waste, such as tyres and gloves, are considered recyclable. This study aims to develop self-healing rubber, which allows a product to recover without affecting structural reliability. Commercial NR was ionically crosslinked with zinc thiolate, forming an ionic crosslink network between rubber chains and zinc thiolate ions. The ionic crosslinks allow the rearrangement of rubber molecular chains under external heat, providing self-healing capabilities. The highest ionic crosslink density was found in NR with 35 phr zinc thiolate. The self-healing NR can recover 90 % of its initial properties at room temperature for 10 min and can be reprocessed and recycled three times without compromising its properties. It also shows excellent weldability, making it a promising material for repairing existing rubber products in heavy engineering applications.
天然橡胶（NR）是一种复杂的材料，由于其三维结构而经常被丢弃。由于其结构复杂，橡胶的回收利用十分困难，只有 170 万吨轮胎和手套等废物被认为是可回收利用的。本研究旨在开发自愈合橡胶，使产品能够在不影响结构可靠性的情况下进行回收。商用 NR 与硫酸锌进行离子交联，在橡胶链和硫酸锌离子之间形成离子交联网络。离子交联可使橡胶分子链在外部热量作用下重新排列，从而提供自愈能力。含 35 phr 硫醇酸锌的 NR 的离子交联密度最高。在室温下 10 分钟，自愈合 NR 可恢复其 90% 的初始特性，并可进行三次再加工和再循环，而不会影响其特性。它还具有出色的可焊性，是重型工程应用中修复现有橡胶产品的理想材料。
{"title":"Investigation on recycling and reprocessing ability of self-healing natural rubber based on ionic crosslink network","authors":"Mohd Hafiz Zainol, Raa Khimi Shuib, Ismail Ibrahim, Fairul Sharin Abd Razak, Noor Faezah Mohd Sani, Trans Dai Lam","doi":"10.1515/pac-2024-0025","DOIUrl":"https://doi.org/10.1515/pac-2024-0025","url":null,"abstract":"Natural rubber (NR) is a complex material that is often discarded due to its three-dimensional structure. Recycling of rubber is difficult due to its complex structure, and only 1.7 million tonnes of waste, such as tyres and gloves, are considered recyclable. This study aims to develop self-healing rubber, which allows a product to recover without affecting structural reliability. Commercial NR was ionically crosslinked with zinc thiolate, forming an ionic crosslink network between rubber chains and zinc thiolate ions. The ionic crosslinks allow the rearrangement of rubber molecular chains under external heat, providing self-healing capabilities. The highest ionic crosslink density was found in NR with 35 phr zinc thiolate. The self-healing NR can recover 90 % of its initial properties at room temperature for 10 min and can be reprocessed and recycled three times without compromising its properties. It also shows excellent weldability, making it a promising material for repairing existing rubber products in heavy engineering applications.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"11 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142184726","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}
Marcia F. Mesko, Larissa C. A. Costa, Jenifer H. Cerqueira, Fernanda P. Balbinot, Filipe S. Rondan
Microwave-induced combustion was evaluated as a sample preparation method for several types of tea (black, green, lemon balm, boldo, and mint) for further determination of bromine, chlorine, fluorine, iodine, and sulfur by ion chromatography. Parameters such as the sample mass efficiently decomposed and the most suitable absorbing solution (ultrapure water and 25, 50, 100, and 150 mmol L−1 NH4OH) were evaluated, considering the characteristics of the analytes and the determination technique used. The maximum sample mass possible to be decomposed was 900 mg of milled tea in the form of pellets, and the absorbing solution chosen was 100 mmol L−1 NH4OH, which provided suitable stabilization of the analytes (recoveries between 95 % and 103 %). To assess the accuracy of the proposed method, a certified reference material (BCR 060, aquatic plant) was analyzed. Agreements with the certified values ranged from 101 % to 107 %. The proposed method was used to analyze tea samples and the concentrations ranged from 549 to 2,549 mg kg−1 for chlorine, 223 to 828 mg kg−1 for fluorine, and 786 to 4,023 mg kg−1 for sulfur; bromine and iodine concentrations were below the limits of quantification (42 and 80 mg kg−1, respectively) in all evaluated samples.
{"title":"Method development for multielement determination of halogens and sulfur in teas","authors":"Marcia F. Mesko, Larissa C. A. Costa, Jenifer H. Cerqueira, Fernanda P. Balbinot, Filipe S. Rondan","doi":"10.1515/pac-2024-0219","DOIUrl":"https://doi.org/10.1515/pac-2024-0219","url":null,"abstract":"Microwave-induced combustion was evaluated as a sample preparation method for several types of tea (black, green, lemon balm, boldo, and mint) for further determination of bromine, chlorine, fluorine, iodine, and sulfur by ion chromatography. Parameters such as the sample mass efficiently decomposed and the most suitable absorbing solution (ultrapure water and 25, 50, 100, and 150 mmol L<jats:sup>−1</jats:sup> NH<jats:sub>4</jats:sub>OH) were evaluated, considering the characteristics of the analytes and the determination technique used. The maximum sample mass possible to be decomposed was 900 mg of milled tea in the form of pellets, and the absorbing solution chosen was 100 mmol L<jats:sup>−1</jats:sup> NH<jats:sub>4</jats:sub>OH, which provided suitable stabilization of the analytes (recoveries between 95 % and 103 %). To assess the accuracy of the proposed method, a certified reference material (BCR 060, aquatic plant) was analyzed. Agreements with the certified values ranged from 101 % to 107 %. The proposed method was used to analyze tea samples and the concentrations ranged from 549 to 2,549 mg kg<jats:sup>−1</jats:sup> for chlorine, 223 to 828 mg kg<jats:sup>−1</jats:sup> for fluorine, and 786 to 4,023 mg kg<jats:sup>−1</jats:sup> for sulfur; bromine and iodine concentrations were below the limits of quantification (42 and 80 mg kg<jats:sup>−1</jats:sup>, respectively) in all evaluated samples.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"46 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141867282","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}
Cintia D. F. Milagre, Humberto M. S. Milagre, Dulce Helena S. Silva, Victor Hugo O. Cavalcanti, Laerte Ganeo Neto
This manuscript aims to bring reflections and inspiration towards how the university can act as a vector for tackling the 17 SDGs (Sustainable Development Goals) of the 2030 Agenda from the UN (United Nations) and the role of its community (undergraduate and graduate students, staff, and faculty members). In this regard, the Institute of Chemistry from Sao Paulo State University – UNESP combines efforts with the university’s central administration and non-governmental organizations to implement and stimulate activities to spread green chemistry and sustainable practices in each of the four fundamental pillars of the university: teaching, research, outreach, and administrative sectors.
{"title":"Paths and synergies in accelerating the UN 17 SDGs through the lens of green chemistry: contributions from a Brazilian university and its Institute of Chemistry","authors":"Cintia D. F. Milagre, Humberto M. S. Milagre, Dulce Helena S. Silva, Victor Hugo O. Cavalcanti, Laerte Ganeo Neto","doi":"10.1515/pac-2024-0232","DOIUrl":"https://doi.org/10.1515/pac-2024-0232","url":null,"abstract":"This manuscript aims to bring reflections and inspiration towards how the university can act as a vector for tackling the 17 SDGs (Sustainable Development Goals) of the 2030 Agenda from the UN (United Nations) and the role of its community (undergraduate and graduate students, staff, and faculty members). In this regard, the Institute of Chemistry from Sao Paulo State University – UNESP combines efforts with the university’s central administration and non-governmental organizations to implement and stimulate activities to spread green chemistry and sustainable practices in each of the four fundamental pillars of the university: teaching, research, outreach, and administrative sectors.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"88 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141873065","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}
Evon Akram, Alaa A. Rashad, Mokdad Hayawi Rahman, Rasheed N. Abed, Mohammed Al-Baidhani, Ali Basem, Mohammed Kadhom, Muna S. Bufaroosha, Abas Hadawey, Emad Yousif
A newly synthesis composite thin films of poly(vinyl chloride) has been refinement with ionic liquid, where PVC dissolved in THF with various concentrations of IL by casting method to form the composite thin films, without any reaction and IL dangles within PVC matrix. The thin films were examined by the diffusive reflectance device under the wavelength range (238–1300 nm). The XRD, EDX, and AFM techniques were utilized to discover the structure of the PVC matrix after additive IL. The XRD analysis illustrated the amorphous structure of the films, while the EDS analysis illustrated the main composition of pure PVC and composite PVC/IL. The optical properties and optical parameters were studied. The reflectance, extinction factor, transmittance, and imaginary dielectric constant declined, the absorption value was between (80–89 %), and the refractive index, real dielectric constant, and optical conductivity were increased. The indirect energy gap declined from 4.2 eV to 2.2 eV and the direct energy gap declined from 3.7 eV to 2.6 eV. The Urbach energy was increased from 2.09 eV to 15.45 eV revealing an increase in the disorders of electrons. The Ed increased from 23.42 eV to 70.68 eV and Eo increased from 7.00 eV to 10.88 eV. AFM analysis illustrated the roughness of the films increased after additive IL to the PVC Matrix from 1.08 nm to 4.45 nm and the root mean square of the particles ranged from 1.57 nm to 5.56 nm. The PVC composite thin films are utilized in solar cell and sodium-ion battery applications.
一种新的聚氯乙烯（Vinyl chloride）与离子液体复合薄膜的合成方法是将聚氯乙烯溶解在 THF 中，加入不同浓度的离子液体，通过浇铸法形成复合薄膜，在聚氯乙烯基体中离子液体悬浮，不发生任何反应。薄膜在波长（238-1300 nm）范围内通过漫反射装置进行检测。利用 XRD、EDX 和 AFM 技术发现了添加 IL 后 PVC 基体的结构。XRD 分析表明了薄膜的无定形结构，而 EDS 分析表明了纯 PVC 和 PVC/IL 复合材料的主要成分。对光学特性和光学参数进行了研究。反射率、消光系数、透射率和虚介电常数下降，吸收值介于（80-89 %）之间，折射率、实介电常数和光导率上升。间接能隙从 4.2 eV 下降到 2.2 eV，直接能隙从 3.7 eV 下降到 2.6 eV。厄巴赫能从 2.09 eV 增加到 15.45 eV，表明电子失调增加。E d 从 23.42 eV 增加到 70.68 eV，E o 从 7.00 eV 增加到 10.88 eV。原子力显微镜分析表明，在 PVC 基质中添加 IL 后，薄膜的粗糙度从 1.08 nm 增加到 4.45 nm，颗粒的均方根从 1.57 nm 增加到 5.56 nm。这种 PVC 复合薄膜可用于太阳能电池和钠离子电池。
{"title":"Comprehensive evaluation of the impact of ionic liquid incorporation on the optical properties, Urbach energy, thin film morphology, and surface roughness of poly(vinyl chloride) based on ionic materials","authors":"Evon Akram, Alaa A. Rashad, Mokdad Hayawi Rahman, Rasheed N. Abed, Mohammed Al-Baidhani, Ali Basem, Mohammed Kadhom, Muna S. Bufaroosha, Abas Hadawey, Emad Yousif","doi":"10.1515/pac-2024-0227","DOIUrl":"https://doi.org/10.1515/pac-2024-0227","url":null,"abstract":"A newly synthesis composite thin films of poly(vinyl chloride) has been refinement with ionic liquid, where PVC dissolved in THF with various concentrations of IL by casting method to form the composite thin films, without any reaction and IL dangles within PVC matrix. The thin films were examined by the diffusive reflectance device under the wavelength range (238–1300 nm). The XRD, EDX, and AFM techniques were utilized to discover the structure of the PVC matrix after additive IL. The XRD analysis illustrated the amorphous structure of the films, while the EDS analysis illustrated the main composition of pure PVC and composite PVC/IL. The optical properties and optical parameters were studied. The reflectance, extinction factor, transmittance, and imaginary dielectric constant declined, the absorption value was between (80–89 %), and the refractive index, real dielectric constant, and optical conductivity were increased. The indirect energy gap declined from 4.2 eV to 2.2 eV and the direct energy gap declined from 3.7 eV to 2.6 eV. The Urbach energy was increased from 2.09 eV to 15.45 eV revealing an increase in the disorders of electrons. The <jats:italic>E</jats:italic> <jats:sub> <jats:italic>d</jats:italic> </jats:sub> increased from 23.42 eV to 70.68 eV and <jats:italic>E</jats:italic> <jats:sub> <jats:italic>o</jats:italic> </jats:sub> increased from 7.00 eV to 10.88 eV. AFM analysis illustrated the roughness of the films increased after additive IL to the PVC Matrix from 1.08 nm to 4.45 nm and the root mean square of the particles ranged from 1.57 nm to 5.56 nm. The PVC composite thin films are utilized in solar cell and sodium-ion battery applications.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"96 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141867283","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}
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.
{"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 [14.8.4.2⁴,⁷.2<jats:sup>10</jats:sup>,<jats:sup>13</jats:sup>.0⁶,<jats:sup>11</jats:sup>.0<jats:sup>19</jats:sup>,<jats:sup>27</jats:sup>.0<jats:sup>22</jats:sup>,<jats:sup>26</jats:sup>]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,<jats:sup>28</jats:sup>.0³,<jats:sup>16</jats:sup>.0⁴,<jats:sup>13</jats:sup>.0⁵, <jats:sup>10</jats:sup>.0<jats:sup>22</jats:sup>,<jats:sup>30</jats:sup>.0<jats:sup>25</jats:sup>,<jats:sup>29</jats:sup>]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 IC<jats:sub>50</jats:sub> 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":"15 1","pages":""},"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}
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.
本研究旨在评估烷醇胺深共晶溶剂（DES）的成分对这些溶剂的物理性质及其二氧化碳容量的影响。为了实现这一目标，我们以 2-（丁氨基）乙醇 (BAE) 作为氢键供体 (HBD)，并以四丁基溴化铵 (TBAB)、四丁基氯化铵 (TBAC) 或四乙基氯化铵 (TEAC) 作为氢键受体 (HBA)，以不同的摩尔比（1:6、1:8 和 1:10）合成了新型深共晶溶剂。为证实各组分之间存在氢键相互作用，进行了傅立叶变换红外光谱测量。此外，还考察了这些深共晶溶剂在 293.15-333.15 K 温度范围内和 0.1 MPa 压力下的热特性（包括熔点和热稳定性）以及关键物理性质（如密度、粘度、折射率和声速）。研究分析了 HBA 与 HBD 的摩尔比、阴离子类型和烷基链长度对理化性质的影响。在这项工作中，测量了二氧化碳在由 2-（丁氨基）乙醇、3-氨基-1-丙醇（AP）和 2-（甲氨基）乙醇（MAE）衍生的 DES 中的溶解度。TEAC:MAE 1:10 DES 的二氧化碳容量最高，其特点是 HBA 和 HBD 分子中的烷基链长度最短、胺含量最高、粘度最低。此外，还探讨了加水对二氧化碳溶解度的影响。结果表明，水对二氧化碳溶解度的影响因 DES 的类型而异。总之，这项研究突出表明，DES 可作为捕获二氧化碳的有效介质，其性能可通过改变氢键受体或供体的类型、摩尔比以及加水来调整。
{"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 CO<jats:sub>2</jats:sub> 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 CO<jats:sub>2</jats:sub> 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":"92 1","pages":""},"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}
Alfonso Canales-Martínez, Rosa M. Pérez-Pastor, Gabriel García
In this work, we describe the synthesis and characterisation of the starting materials [Cp*IrCl2]2 and four new ruthenium(II) and iridium(III) complexes half sandwich, contain the fragments [(p-cymene)Ru]2+ and [Cp*Ir]2+; (Cp* = CpMe4Et) of stoichiometry: [Cp*IrCl2(2-aminopyridine)] (I), [Cp*IrCl2(4-aminopyridine)] (II), [Cp*IrCl2(adenine)] (III) and [(p-cymene)RuCl2(adenine)] (IV). The new compounds have been characterised by C, H, and N elemental analysis; infrared and 1H NMR spectroscopy with 1H–1H COSY, ESI/TOF mass spectrometry and thermogravimetry. A study of the cytotoxicity of these compounds against the Hela cell line was carried out, with results indicating a low activity.
在这项工作中，我们描述了起始材料 [Cp*IrCl2]2 和四种新的钌(II)和铱(III)配合物半夹心的合成和表征：[Cp*IrCl2(2-氨基吡啶)] (I)、[Cp*IrCl2(4-氨基吡啶)] (II)、[Cp*IrCl2(腺嘌呤)] (III) 和 [(对伞花烃)RuCl2(腺嘌呤)] (IV)。新化合物的表征方法包括：C、H 和 N 元素分析；红外和 1H NMR 光谱及 1H-1H COSY、ESI/TOF 质谱分析和热重分析。对这些化合物对 Hela 细胞系的细胞毒性进行了研究，结果表明活性较低。
{"title":"New half sandwich complexes of ruthenium(ii) and iridium(iii). Study of their toxicity against Hela","authors":"Alfonso Canales-Martínez, Rosa M. Pérez-Pastor, Gabriel García","doi":"10.1515/pac-2024-0224","DOIUrl":"https://doi.org/10.1515/pac-2024-0224","url":null,"abstract":"In this work, we describe the synthesis and characterisation of the starting materials [Cp*IrCl<jats:sub>2</jats:sub>]<jats:sub>2</jats:sub> and four new ruthenium(II) and iridium(III) complexes half sandwich, contain the fragments [(p-cymene)Ru]<jats:sup>2+</jats:sup> and [Cp*Ir]<jats:sup>2+</jats:sup>; (Cp* = Cp<jats:sup>Me4Et</jats:sup>) of stoichiometry: [Cp*IrCl<jats:sub>2</jats:sub>(2-aminopyridine)] (I), [Cp*IrCl<jats:sub>2</jats:sub>(4-aminopyridine)] (II), [Cp*IrCl<jats:sub>2</jats:sub>(adenine)] (III) and [(<jats:italic>p</jats:italic>-cymene)RuCl<jats:sub>2</jats:sub>(adenine)] (IV). The new compounds have been characterised by C, H, and N elemental analysis; infrared and <jats:sup>1</jats:sup>H NMR spectroscopy with <jats:sup>1</jats:sup>H–<jats:sup>1</jats:sup>H COSY, ESI/TOF mass spectrometry and thermogravimetry. A study of the cytotoxicity of these compounds against the Hela cell line was carried out, with results indicating a low activity.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"35 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611896","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}
Currently, we find ourselves with the urgent need for chemistry to exert a substantial positive influence on environmental impact, by means of products and chemical processes. To achieve these objectives, we must pay special attention in terms of resource sustainability, considering factors such as life cycle assessments and minimizing carbon footprints. Biomass obtained from organic matter found in plants as well as agricultural and industrial waste, represents the most abundant reserve of renewable materials on our planet. In this perspective we highlight the research and innovation possibilities provided by renewable raw materials obtained from biomass within the domain of organic synthesis toward sustainable development. We focus our discussion on different reactions in the field of organic chemistry, primarily employing furanic platforms as renewable compounds derived from cellulosic biomass. The main aim is to generate high-value products, with a special emphasis on potential development of new pharmaceuticals.
{"title":"Renewable carbon resource from biomass: building molecular architectures from furanic platforms","authors":"Gloria V. López, Williams Porcal","doi":"10.1515/pac-2024-0230","DOIUrl":"https://doi.org/10.1515/pac-2024-0230","url":null,"abstract":"Currently, we find ourselves with the urgent need for chemistry to exert a substantial positive influence on environmental impact, by means of products and chemical processes. To achieve these objectives, we must pay special attention in terms of resource sustainability, considering factors such as life cycle assessments and minimizing carbon footprints. Biomass obtained from organic matter found in plants as well as agricultural and industrial waste, represents the most abundant reserve of renewable materials on our planet. In this perspective we highlight the research and innovation possibilities provided by renewable raw materials obtained from biomass within the domain of organic synthesis toward sustainable development. We focus our discussion on different reactions in the field of organic chemistry, primarily employing furanic platforms as renewable compounds derived from cellulosic biomass. The main aim is to generate high-value products, with a special emphasis on potential development of new pharmaceuticals.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"53 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611897","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}
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, SD, that explains why these spontaneous processes occur. This new paper provides a method for calculating positional entropy, SD, 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.
之前发表的一篇论文提供了六个无法用经典热力学解释的理想系统自发过程的例子。这六个例子包括：理想气体的自由膨胀、理想气体的混合、理想溶质的扩散、理想溶质的混合、理想溶液的渗透以及理想溶液浓度电池的自由放电。上一篇论文证明了能量在这些例子中都不是驱动力，并进而建立了一个位置熵模型 S D，解释了这些自发过程发生的原因。这篇新论文为同样的六个系统提供了计算位置熵 S D 的方法，但针对的是实际粒子，包括非零体积粒子、不同体积粒子以及粒子间相互作用不同的粒子。这项工作的重要成果表明，无论是理想粒子还是真实粒子，这六个示例系统的自发放电都是由微观状态的非平衡分布所产生的概率场造成的。概率场会使粒子向平衡分布偏移，偏移是概率增加的结果，而不是能量减少的原因。这项工作的另一个结论表明，概率场对位置微态最终平衡分布的放电消除了系统中的势能，但并不违反能量守恒定律。
{"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, <jats:italic>S</jats:italic> <jats:sub>D</jats:sub>, that explains why these spontaneous processes occur. This new paper provides a method for calculating positional entropy, <jats:italic>S</jats:italic> <jats:sub>D</jats:sub>, 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":"477 1","pages":""},"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}
Radioactive materials may contain primordial radionuclides, and radionuclides of anthropogenic, nuclear accident, and waste disposal which are present in marine environments. This review explores various approaches for the effective sampling and detection of marine radionuclides. The different types of samples that can be collected, including water, sediment, biota, and suspended particulate matter are discussed. Additionally, this paper discusses the various analytical techniques employed for radionuclide detection, such as gamma spectrometry and radiochemical separation. The review emphasizes the importance of choosing appropriate sampling and detection methods based on the specific radionuclides, environmental conditions, and the desired level of sensitivity. It also highlights the challenges associated with their sampling and detection in complex marine environments. These include low radionuclide concentrations, interference from natural matrices, and contamination risks.
{"title":"Overview of marine radionuclides from sampling to monitoring","authors":"Suresh Sagadevan, Joon Ching Juan","doi":"10.1515/pac-2023-1010","DOIUrl":"https://doi.org/10.1515/pac-2023-1010","url":null,"abstract":"Radioactive materials may contain primordial radionuclides, and radionuclides of anthropogenic, nuclear accident, and waste disposal which are present in marine environments. This review explores various approaches for the effective sampling and detection of marine radionuclides. The different types of samples that can be collected, including water, sediment, biota, and suspended particulate matter are discussed. Additionally, this paper discusses the various analytical techniques employed for radionuclide detection, such as gamma spectrometry and radiochemical separation. The review emphasizes the importance of choosing appropriate sampling and detection methods based on the specific radionuclides, environmental conditions, and the desired level of sensitivity. It also highlights the challenges associated with their sampling and detection in complex marine environments. These include low radionuclide concentrations, interference from natural matrices, and contamination risks.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"8 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611893","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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