Among the many drawbacks of the current wastewater treatment systems are their high energy consumption and creation of harmful sludge. Carbon nanotubes (CNTs) are advantageous for the treatment of water due to their strong adsorption capacity and selectivity towards various pollutants. Thus, creating methods for treating water by producing CNTs from Moringa oleifera leaf extract can greatly help with the clean water problem. The synthesised material’s Ultra Visible (260–385 nm), FTIR (764–3295 cm−1) and Scanning Electron Microscope (SEM) characterizations have demonstrated their CNTs characteristics. The repeatability testing yielded the %RSD values for Ca = 0.4, Cu = 0.24, Mg = 0.9, Pb = 1.06 and Zn = 0.36 which suggest that the AES approach demonstrated a high degree of precision. The findings show that the quantity of recovered metals increases with retention period. Mg > Cu > Zn > Ca > Pb was the order of the metal adsorption capacity throughout retention durations of 3, 6, 24, and 48 h. As the initial concentrations of the components under research were doubled and tripled, so were the removal capacities of CNTs increased which may be as a result of an increase in metal ions in the solution. The outcomes show how well the synthetic CNTs can remove heavy metals from wastewater.
{"title":"Efficiency of green synthesised carbon nanotubes from Moringa oleifera leaf extract as potential toxic metals adsorbent in polluted water","authors":"Mansur Ibrahim Yahaya, Zara’u Salihu","doi":"10.1515/pac-2024-0103","DOIUrl":"https://doi.org/10.1515/pac-2024-0103","url":null,"abstract":"Among the many drawbacks of the current wastewater treatment systems are their high energy consumption and creation of harmful sludge. Carbon nanotubes (CNTs) are advantageous for the treatment of water due to their strong adsorption capacity and selectivity towards various pollutants. Thus, creating methods for treating water by producing CNTs from <jats:italic>Moringa oleifera</jats:italic> leaf extract can greatly help with the clean water problem. The synthesised material’s Ultra Visible (260–385 nm), FTIR (764–3295 cm<jats:sup>−1</jats:sup>) and Scanning Electron Microscope (SEM) characterizations have demonstrated their CNTs characteristics. The repeatability testing yielded the %RSD values for Ca = 0.4, Cu = 0.24, Mg = 0.9, Pb = 1.06 and Zn = 0.36 which suggest that the AES approach demonstrated a high degree of precision. The findings show that the quantity of recovered metals increases with retention period. Mg > Cu > Zn > Ca > Pb was the order of the metal adsorption capacity throughout retention durations of 3, 6, 24, and 48 h. As the initial concentrations of the components under research were doubled and tripled, so were the removal capacities of CNTs increased which may be as a result of an increase in metal ions in the solution. The outcomes show how well the synthetic CNTs can remove heavy metals from wastewater.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140045709","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}
De Nora, an Italian multinational corporation listed on Euronext Milan, stands as a notable leader in sustainable technologies, especially within the growing field of green hydrogen. Over its century-long existence, the company has undergone distinct phases, culminating in a significant global role for a greener and more sustainable future. De Nora has substantiated its international presence with a robust network of 25 operational entities, five research centers, and a workforce exceeding 2000 employees. Originating in 1923 under Oronzio De Nora’s vision, the establishment of Oronzio De Nora Impianti Elettrochimici propelled the company into pioneering electrochemical advancements. Initially focusing on chlor-alkali technologies, De Nora’s strategic collaborations and acquisitions facilitated its evolution from a specialized enterprise to a versatile multinational entity. The contemporary phase of De Nora’s journey has been fortified by strategic partnerships, notably with Blackstone Tactical Opportunities and later Snam S.p.A. These alliances align with the need to face climate change and underscore De Nora’s commitment to achieving carbon neutrality by 2050. As the transition to cleaner energy solutions accelerates worldwide, De Nora’s expertise in electrode technology and electrochemical processes positions it as a frontrunner in the green hydrogen revolution. Central to this evolution is the rise of green hydrogen, produced through water electrolysis using renewable sources. De Nora’s research and development initiatives have yielded transformative outcomes, including energy-efficient electrodes and innovative electrode packages tailored for alkaline electrolysis. This focus on efficiency and cost reduction enhances De Nora’s potential to drive the widespread adoption of green hydrogen technology, amplifying its influence on the global energy landscape. De Nora’s impact extends to pivotal global initiatives, exemplified by its role as a strategic partner in NEOM project, an ambitious green hydrogen production facility in Saudi Arabia. Furthermore, De Nora’s contributions resonate in Europe’s largest green hydrogen generation project through collaboration with H2 Green Steel in Sweden. Moreover, a crowning achievement in De Nora’s trajectory is the visionary ‘GigaFactory’, a model of innovation and sustainability made in partnership with Snam. Located near Milan, this pioneering manufacturing hub will embody principles of Industry 4.0, flexibility and automation practices. Supported by the European IPCEI Hydrogen program and the European Commission, this initiative represents a significant stride towards a renewable hydrogen value chain. In conclusion, De Nora’s journey encapsulates a century-long evolution from its electrochemical roots to a dynamic global company propelling sustainable technologies. Anchored by an unwavering commitment to carbon neutrality and bolstered by transformative partnerships, the company embodies innovation and col
德诺拉公司是一家在米兰泛欧证券交易所上市的意大利跨国公司，在可持续发展技术领域，特别是在不断发展的绿色氢能领域，是一家著名的领先企业。公司成立一个多世纪以来，经历了不同的发展阶段，最终在全球范围内发挥了重要作用，创造了更加绿色和可持续发展的未来。凭借由 25 个运营实体、5 个研究中心和超过 2000 名员工组成的强大网络，德诺拉在国际市场上占据了一席之地。1923 年，在奥伦齐奥-德-诺拉（Oronzio De Nora）的构想下，奥伦齐奥-德-诺拉电化学公司（Oronzio De Nora Impianti Elettrochimici）成立，推动了公司在电化学领域的发展。德诺拉公司最初专注于氯碱技术，其战略合作与收购促进了公司从专业化企业向多功能跨国实体的发展。这些联盟符合应对气候变化的需要，并强调了德诺拉到 2050 年实现碳中和的承诺。随着全球加速向清洁能源解决方案转型，德诺拉在电极技术和电化学工艺方面的专业知识使其成为绿色氢能革命的领跑者。这一变革的核心是利用可再生资源进行水电解生产的绿色氢气的兴起。德诺拉公司的研发举措取得了变革性的成果，包括为碱性电解量身定制的高能效电极和创新电极包。对提高效率和降低成本的关注增强了德诺拉推动绿色氢能技术广泛应用的潜力，扩大了其对全球能源格局的影响。德诺拉公司的影响力还延伸到了至关重要的全球倡议中，例如作为战略合作伙伴参与了沙特阿拉伯雄心勃勃的绿色制氢设施 NEOM 项目。此外，通过与瑞典 H2 Green Steel 公司合作，德诺拉在欧洲最大的绿色制氢项目中也做出了贡献。此外，在德诺拉公司的发展历程中，与斯南公司（Snam）合作的具有远见卓识的 "千兆工厂"（GigaFactory）是一个创新和可持续发展的典范。这座先锋制造中心位于米兰附近，将体现工业 4.0、灵活性和自动化实践的原则。在欧洲 IPCEI 氢计划和欧盟委员会的支持下，这一举措标志着向可再生氢价值链迈出了重要一步。总之，德诺拉的发展历程浓缩了其从电化学起家到成为一家推动可持续技术发展的充满活力的全球性公司的百年演变历程。公司坚定不移地致力于实现碳中和，并以变革性的合作伙伴关系为后盾，体现了创新和协作精神--这是引导各行业走向可持续未来的基本要素。在这个必须去碳化的世界里，德诺拉坚定不移地屹立不倒，成为可持续未来的象征。
{"title":"Shaping the future of green hydrogen: De Nora’s electrochemical technologies for fueling the energy transition","authors":"Michele Perego, Patrick Scilabra","doi":"10.1515/pac-2023-0810","DOIUrl":"https://doi.org/10.1515/pac-2023-0810","url":null,"abstract":"De Nora, an Italian multinational corporation listed on Euronext Milan, stands as a notable leader in sustainable technologies, especially within the growing field of green hydrogen. Over its century-long existence, the company has undergone distinct phases, culminating in a significant global role for a greener and more sustainable future. De Nora has substantiated its international presence with a robust network of 25 operational entities, five research centers, and a workforce exceeding 2000 employees. Originating in 1923 under Oronzio De Nora’s vision, the establishment of Oronzio De Nora Impianti Elettrochimici propelled the company into pioneering electrochemical advancements. Initially focusing on chlor-alkali technologies, De Nora’s strategic collaborations and acquisitions facilitated its evolution from a specialized enterprise to a versatile multinational entity. The contemporary phase of De Nora’s journey has been fortified by strategic partnerships, notably with Blackstone Tactical Opportunities and later Snam S.p.A. These alliances align with the need to face climate change and underscore De Nora’s commitment to achieving carbon neutrality by 2050. As the transition to cleaner energy solutions accelerates worldwide, De Nora’s expertise in electrode technology and electrochemical processes positions it as a frontrunner in the green hydrogen revolution. Central to this evolution is the rise of green hydrogen, produced through water electrolysis using renewable sources. De Nora’s research and development initiatives have yielded transformative outcomes, including energy-efficient electrodes and innovative electrode packages tailored for alkaline electrolysis. This focus on efficiency and cost reduction enhances De Nora’s potential to drive the widespread adoption of green hydrogen technology, amplifying its influence on the global energy landscape. De Nora’s impact extends to pivotal global initiatives, exemplified by its role as a strategic partner in NEOM project, an ambitious green hydrogen production facility in Saudi Arabia. Furthermore, De Nora’s contributions resonate in Europe’s largest green hydrogen generation project through collaboration with H2 Green Steel in Sweden. Moreover, a crowning achievement in De Nora’s trajectory is the visionary ‘GigaFactory’, a model of innovation and sustainability made in partnership with Snam. Located near Milan, this pioneering manufacturing hub will embody principles of Industry 4.0, flexibility and automation practices. Supported by the European IPCEI Hydrogen program and the European Commission, this initiative represents a significant stride towards a renewable hydrogen value chain. In conclusion, De Nora’s journey encapsulates a century-long evolution from its electrochemical roots to a dynamic global company propelling sustainable technologies. Anchored by an unwavering commitment to carbon neutrality and bolstered by transformative partnerships, the company embodies innovation and col","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"72 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140018904","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}
Oxidative degradation of 1,2-dichlorobenzene using different loadings of metal (Mn, Ni, V, and Fe) supported on CeO2 was studied. All metal (Mn, Ni, V, and Fe) loaded CeO2 catalysts were synthesized using the method called wet impregnation and the as-synthesized catalyst materials were characterized using different analytical instruments such as FT-IR, SEM-EDX, XRD, BET, ICP-OES, and TEM methods. The oxidation reactions of 1,2-dichlorobenzene were studied by bubbling substrate (1,2-dichlorobenzene) with ozone (0.0794 mg/L) into a glass reactor via a porous bubbler of porosity 2 over a period of 24 h. A 2.5 % Fe/CeO2 catalyst was found to be the most active catalyst with a percentage conversion of 62 % within 24 h of ozonation. The oxidation products were identified using GC-MS and FT-IR spectroscopy was used to study the functional groups present in the ozonation product. The ozonation products that were identified are mucochloric acid and 3,4-dichloro-2,5-furandione. All the V loaded on CeO2 catalysts produced 100 % mucohloric acid at the end of ozonation (24 h).
{"title":"Ozone-initiated degradation of 1,2-dichlorobenzene over ceria-supported manganese, nickel, vanadium and iron catalysts","authors":"Nomthandazo Mkhize, Viswandha Srirama Rajasekhar Pullabhotla","doi":"10.1515/pac-2023-1019","DOIUrl":"https://doi.org/10.1515/pac-2023-1019","url":null,"abstract":"Oxidative degradation of 1,2-dichlorobenzene using different loadings of metal (Mn, Ni, V, and Fe) supported on CeO<jats:sub>2</jats:sub> was studied. All metal (Mn, Ni, V, and Fe) loaded CeO<jats:sub>2</jats:sub> catalysts were synthesized using the method called wet impregnation and the as-synthesized catalyst materials were characterized using different analytical instruments such as FT-IR, SEM-EDX, XRD, BET, ICP-OES, and TEM methods. The oxidation reactions of 1,2-dichlorobenzene were studied by bubbling substrate (1,2-dichlorobenzene) with ozone (0.0794 mg/L) into a glass reactor via a porous bubbler of porosity 2 over a period of 24 h. A 2.5 % Fe/CeO<jats:sub>2</jats:sub> catalyst was found to be the most active catalyst with a percentage conversion of 62 % within 24 h of ozonation. The oxidation products were identified using GC-MS and FT-IR spectroscopy was used to study the functional groups present in the ozonation product. The ozonation products that were identified are mucochloric acid and 3,4-dichloro-2,5-furandione. All the V loaded on CeO<jats:sub>2</jats:sub> catalysts produced 100 % mucohloric acid at the end of ozonation (24 h).","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140018905","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}
Chiara Ruggirello, Karin Mörl, Annette G. Beck-Sickinger
Peptides have beneficial properties for therapeutic applications due to their excellent target specificity, high affinity and activity, low toxicity and predictable metabolism. Thus, they became an important tool for research and medical purpose. However, peptides are fragile molecules, therefore, in order to be used as therapeutic agents they need to be stabilised by non-peptidic modifications. Required improvements of these peptide properties include longer half-life, higher bioavailability, increased potency and efficiency. Strategies to achieve these goals have been identified in the last years, with synthetic strategies to obtain sufficient amounts becoming increasingly important. In this review, peptides are discussed with respect to their therapeutic applications. Examples from glucagon-like peptide 1 receptor agonists are shown. Peptides are compared to small molecules and antibodies with respect to advantages and disadvantages in therapeutic applications.
{"title":"Peptides for therapeutic applications – challenges and chances","authors":"Chiara Ruggirello, Karin Mörl, Annette G. Beck-Sickinger","doi":"10.1515/pac-2024-0104","DOIUrl":"https://doi.org/10.1515/pac-2024-0104","url":null,"abstract":"Peptides have beneficial properties for therapeutic applications due to their excellent target specificity, high affinity and activity, low toxicity and predictable metabolism. Thus, they became an important tool for research and medical purpose. However, peptides are fragile molecules, therefore, in order to be used as therapeutic agents they need to be stabilised by non-peptidic modifications. Required improvements of these peptide properties include longer half-life, higher bioavailability, increased potency and efficiency. Strategies to achieve these goals have been identified in the last years, with synthetic strategies to obtain sufficient amounts becoming increasingly important. In this review, peptides are discussed with respect to their therapeutic applications. Examples from glucagon-like peptide 1 receptor agonists are shown. Peptides are compared to small molecules and antibodies with respect to advantages and disadvantages in therapeutic applications.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"36 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140018658","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}
Ojong Elias Ojong, Omeke Chimene Wosu, Aguma Emenike, Paschal Ateb Ubi
The research considers the design and simulation of 30 000 tons per year of cumene plant using Aspen HYSYS as the simulation tool. The feed (material content) used is the characterized natural gas from Utorogu Gas Field with composition of 0.9019 methane, 0.0694 ethane, 0.0209 propane, 0.00361 n-butane, 0.00414 i-butane, 0.00005 n-pentane and 0.00007 i-pentane. The cumene plant consist of the cryogenic distillation column, de-hydrogenator (Continuous Stirred Tank Reactor), Alkylator (Plug Flow Reactor), storage tanks, separators, pumps, heat exchanger and mixers. The size/design models of basic plant units such as de-hydrogenator, alkylator, separators, storage tanks and distillation column were developed using the principles of mass and energy balance. The result of design or size specifications in terms of equipment diameter of basic plant units obtained from HYSYS simulation are 0.8 m and 0.319 m for the cryogenic and cumene columns; 1.931 m, 2.244 m and 1.366 m for the propane, propene and cumene storage tanks; 1.868 m and 2.076 m for the de-hydrogenator and alkylator; 1.931 m and 2.146 m for propene and cumene separators respectively. The power or capacity of propane and propene pumps configured in the plant are 0.02 kW and 0.005 kW respectively. The result of the reactor and distillation column thickness specification to withstand corrosion, pressure or stress during plant operation in terms of cylindrical shell and ellipsoidal doomed head are 17.36 mm and 4.31 mm respectively. The economic evaluation (overall cost) including the cost of utilities, catalyst, operating, and maintenance for entire plant is $ 3.004 M.
{"title":"Design and simulation of 30 000 tons per year of cumene plant from natural gas field","authors":"Ojong Elias Ojong, Omeke Chimene Wosu, Aguma Emenike, Paschal Ateb Ubi","doi":"10.1515/pac-2023-1135","DOIUrl":"https://doi.org/10.1515/pac-2023-1135","url":null,"abstract":"The research considers the design and simulation of 30 000 tons per year of cumene plant using Aspen HYSYS as the simulation tool. The feed (material content) used is the characterized natural gas from Utorogu Gas Field with composition of 0.9019 methane, 0.0694 ethane, 0.0209 propane, 0.00361 n-butane, 0.00414 i-butane, 0.00005 n-pentane and 0.00007 i-pentane. The cumene plant consist of the cryogenic distillation column, de-hydrogenator (Continuous Stirred Tank Reactor), Alkylator (Plug Flow Reactor), storage tanks, separators, pumps, heat exchanger and mixers. The size/design models of basic plant units such as de-hydrogenator, alkylator, separators, storage tanks and distillation column were developed using the principles of mass and energy balance. The result of design or size specifications in terms of equipment diameter of basic plant units obtained from HYSYS simulation are 0.8 m and 0.319 m for the cryogenic and cumene columns; 1.931 m, 2.244 m and 1.366 m for the propane, propene and cumene storage tanks; 1.868 m and 2.076 m for the de-hydrogenator and alkylator; 1.931 m and 2.146 m for propene and cumene separators respectively. The power or capacity of propane and propene pumps configured in the plant are 0.02 kW and 0.005 kW respectively. The result of the reactor and distillation column thickness specification to withstand corrosion, pressure or stress during plant operation in terms of cylindrical shell and ellipsoidal doomed head are 17.36 mm and 4.31 mm respectively. The economic evaluation (overall cost) including the cost of utilities, catalyst, operating, and maintenance for entire plant is $ 3.004 M.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"46 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140009751","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}
Shefali Baweja, Amit Lochab, Shalini Baxi, Reena Saxena
Thallium (Tl) is a heavy toxic element which can cause several health issues. WHO and EPA have set a maximum permissible limit for thallium in drinking water above which it is hazardous, so its determination in our environment becomes crucial. Multi-walled carbon nanotubes (MWCNTs) are preferred for use in thallium sensing due to their large surface area and high conductivity, which allow them to be readily functionalized to selective groups. Previous experimental results showed that Tl selectively interacted with the MWCNTs functionalized with 3-amino-1,2,4-triazole-5-thiol (T-MWCNTs) with a limit of detection of 1.29 μg L−1 and linear range 10–100 μg L−1 by using voltammetry under optimized conditions. In actual water samples, the electrochemical sensor fabricated with the above-mentioned functionalized MWCNTs nanocomposite demonstrated high reproducibility and recovery. Molecular recognition and the outcomes of chemical and biological processes are shaped by non-covalent interactions among molecules. It is essential to investigate how these interactions impact binding preferences to enhance our understanding of these events. Here, we examine the structures of complexes of Tl and T-MWCNTs using quantum chemical calculations. Our results show that the most favourable complex of Tl-T-MWCNTs involve strong interaction of Tl with the nitrogen lone pair and additional stabilising interaction provided by the oxygen lone pair of amide linkage of T-MWCNTs. Moreover, we observed that the thiol group within T-MWCNTs readily undergoes deprotonation due to its acidic nature. Non-covalent interactions among molecules influence chemical and biological processes and molecular recognition. To improve our knowledge of these events, it is important to explore the ways in which these interactions affect binding preferences The negative value of adsorption energy (−1.53 eV) of this structure suggested that the interaction process between Tl and T-MWCNTs is spontaneous.
{"title":"Computational investigation of thallium interactions with functionalized multi-walled carbon nanotubes for electrochemical sensing applications","authors":"Shefali Baweja, Amit Lochab, Shalini Baxi, Reena Saxena","doi":"10.1515/pac-2023-1139","DOIUrl":"https://doi.org/10.1515/pac-2023-1139","url":null,"abstract":"Thallium (Tl) is a heavy toxic element which can cause several health issues. WHO and EPA have set a maximum permissible limit for thallium in drinking water above which it is hazardous, so its determination in our environment becomes crucial. Multi-walled carbon nanotubes (MWCNTs) are preferred for use in thallium sensing due to their large surface area and high conductivity, which allow them to be readily functionalized to selective groups. Previous experimental results showed that Tl selectively interacted with the MWCNTs functionalized with 3-amino-1,2,4-triazole-5-thiol (T-MWCNTs) with a limit of detection of 1.29 μg L<jats:sup>−1</jats:sup> and linear range 10–100 μg L<jats:sup>−1</jats:sup> by using voltammetry under optimized conditions. In actual water samples, the electrochemical sensor fabricated with the above-mentioned functionalized MWCNTs nanocomposite demonstrated high reproducibility and recovery. Molecular recognition and the outcomes of chemical and biological processes are shaped by non-covalent interactions among molecules. It is essential to investigate how these interactions impact binding preferences to enhance our understanding of these events. Here, we examine the structures of complexes of Tl and T-MWCNTs using quantum chemical calculations. Our results show that the most favourable complex of Tl-T-MWCNTs involve strong interaction of Tl with the nitrogen lone pair and additional stabilising interaction provided by the oxygen lone pair of amide linkage of T-MWCNTs. Moreover, we observed that the thiol group within T-MWCNTs readily undergoes deprotonation due to its acidic nature. Non-covalent interactions among molecules influence chemical and biological processes and molecular recognition. To improve our knowledge of these events, it is important to explore the ways in which these interactions affect binding preferences The negative value of adsorption energy (−1.53 eV) of this structure suggested that the interaction process between Tl and T-MWCNTs is spontaneous.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139978269","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}
Lihui Yuan, Ping Zhu, Yu Wang, Xia Dong, Dujin Wang
Conventional polymers have typically been used in the packaging of various electronic devices; however, due to the inherent electrically insulating properties these materials fail to dissipate static charges. To address this issue, novel poly(ether-b-amide) (PEBA) segmented copolymers consisting of uniform rigid oxalamide and flexible polyethylene glycol (PEG) were synthesized via melt polycondensation. The influence of PEG molecular weight and the spacer length separating two oxalamide units on the condensed structure, mechanical performance, and antistatic properties was systematically investigated. Fourier-transform infrared (FTIR) demonstrated strongly hydrogen bonded and highly ordered oxalamide hard segments with the degree of ordering between 71 and 85 % even at low levels. Mechanical behavior results showed that segmented copolymers have an obvious yield point, an elastic modulus between 20 and 30 MPa, and strain at break exceeding 2000 %. Meanwhile, such copolymers possessed low surface resistivity, as low as 107 Ω, which is significantly less than that of commercial antistatic additives. The antistatic effect of PEBA on polyamide 6 (PA6) was also investigated, revealing that when the content reached 30 wt%, the surface resistivity of the alloys decreased from 1013 Ω to 1011 Ω and remained stable after 40 days, even after water washing treatment. Overall, these findings illustrate that the newly synthesized PEBA copolymers demonstrate outstanding long-term antistatic properties and provide valuable insights for the development of polyether-based multiblock copolymer antistatic agents.
{"title":"The preparation of permanent antistatic additive based on poly(ether-b-amide) copolymers and its modification effect on polyamide 6","authors":"Lihui Yuan, Ping Zhu, Yu Wang, Xia Dong, Dujin Wang","doi":"10.1515/pac-2023-1132","DOIUrl":"https://doi.org/10.1515/pac-2023-1132","url":null,"abstract":"Conventional polymers have typically been used in the packaging of various electronic devices; however, due to the inherent electrically insulating properties these materials fail to dissipate static charges. To address this issue, novel poly(ether-<jats:italic>b</jats:italic>-amide) (PEBA) segmented copolymers consisting of uniform rigid oxalamide and flexible polyethylene glycol (PEG) were synthesized via melt polycondensation. The influence of PEG molecular weight and the spacer length separating two oxalamide units on the condensed structure, mechanical performance, and antistatic properties was systematically investigated. Fourier-transform infrared (FTIR) demonstrated strongly hydrogen bonded and highly ordered oxalamide hard segments with the degree of ordering between 71 and 85 % even at low levels. Mechanical behavior results showed that segmented copolymers have an obvious yield point, an elastic modulus between 20 and 30 MPa, and strain at break exceeding 2000 %. Meanwhile, such copolymers possessed low surface resistivity, as low as 10<jats:sup>7</jats:sup> Ω, which is significantly less than that of commercial antistatic additives. The antistatic effect of PEBA on polyamide 6 (PA6) was also investigated, revealing that when the content reached 30 wt%, the surface resistivity of the alloys decreased from 10<jats:sup>13</jats:sup> Ω to 10<jats:sup>11</jats:sup> Ω and remained stable after 40 days, even after water washing treatment. Overall, these findings illustrate that the newly synthesized PEBA copolymers demonstrate outstanding long-term antistatic properties and provide valuable insights for the development of polyether-based multiblock copolymer antistatic agents.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"131 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139956214","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}
Noviany Noviany, Hasnah Osman, Suriyati Mohamad, Bambang Irawan, Wisnu Ananta Kusuma, Jhons F. Suwandi, Sutopo Hadi, Nanik S. Aminah
A new dimer of natural isoflavonoid along with some known flavonoid compounds was successfully isolated from the roots of Indonesian Sesbania grandiflora plant using ethyl acetate extraction. The new compound specified as naturally bi-isoflavonoid with (4→6) inter-isoflavanyl linkage and four known flavonoids xenognosin B, liquiritigenin, 7,2′4′-trihydroxyisoflavone, demethylvestitol, and 1,1′-bi-2-naphthol was isolated and the antituberculosis activity of the compounds was studied. The structure of all compounds was elucidated with the aid of 1D and 2D NMR, UV spectroscopy, and HRESI mass spectrometry. The data obtained were also compared with the previous published data. Among compounds, 1,1′-bi-2-naphthol was found to exhibit the highest activity against Mycobacterium tuberculosis H37Rv with the MIC’s value of 10.9 µM while the biisoflavonoid with (4→6) inter-isoflavanyl linkage showed moderate activity with the MIC’s value of 92.2 nM, compared with isozianid as a positive control with the MIC’s value of 0.569 nM. It is worth to note that 1,1′-bi-2-naphthol and biisoflavonoid with (4→6) inter-isoflavanyl linkage were isolated for the first time from a natural source. Both compounds have been previously reported as synthetic compounds, which is synonymous with 3,4- trans-4-[(3S)-7,2′-dihydroxy-4′-methoxyisoflavan-6-yl]-7,2′-dihydroxy-4′-methoxyisoflavan and 1,1′-bi-2-naphthol, respectively. In this respect, the results of this study suggest that the roots of S. grandiflora is a potential source of new natural product compounds, with promising bioactivities.
利用乙酸乙酯萃取法成功地从印度尼西亚大叶芝麻植物的根部分离出了一种新的天然异黄酮二聚体和一些已知的黄酮类化合物。分离出的新化合物是具有 (4→6) 异黄烷间连接的天然双异黄酮，以及四种已知的黄酮类化合物 xenognosin B、liquiritigenin、7,2′4′-三羟基异黄酮、demethylvestitol 和 1,1′-bi-2-naphthol ，并对这些化合物的抗结核活性进行了研究。利用一维和二维核磁共振、紫外光谱和 HRESI 质谱分析法阐明了所有化合物的结构。获得的数据还与之前发表的数据进行了比较。在这些化合物中，1,1′-bi-2-萘酚对结核分枝杆菌 H37Rv 的活性最高，其 MIC 值为 10.9 µM，而具有 (4→6) 间异黄酮连接的生物黄酮类化合物则表现出中等活性，其 MIC 值为 92.2 nM，而异嗪酸作为阳性对照，其 MIC 值为 0.569 nM。值得注意的是，1,1′-bi-2-萘酚和具有（4→6）间异黄烷酰基连接的生物黄酮类化合物是首次从天然来源中分离出来。这两种化合物以前都曾被报道为合成化合物，分别与 3,4-反式-4-[(3S)-7,2′-二羟基-4′-甲氧基异黄烷-6-基]-7,2′-二羟基-4′-甲氧基异黄烷和 1,1′-双-2-萘酚同义。因此，本研究的结果表明，大花茜草的根是新天然产物化合物的潜在来源，具有良好的生物活性。
{"title":"Two new naturally dimers constituent from Indonesian Sesbania grandiflora plant and their bioactivity","authors":"Noviany Noviany, Hasnah Osman, Suriyati Mohamad, Bambang Irawan, Wisnu Ananta Kusuma, Jhons F. Suwandi, Sutopo Hadi, Nanik S. Aminah","doi":"10.1515/pac-2023-1112","DOIUrl":"https://doi.org/10.1515/pac-2023-1112","url":null,"abstract":"A new dimer of natural isoflavonoid along with some known flavonoid compounds was successfully isolated from the roots of Indonesian <jats:italic>Sesbania grandiflora</jats:italic> plant using ethyl acetate extraction. The new compound specified as naturally bi-isoflavonoid with (4→6) inter-isoflavanyl linkage and four known flavonoids xenognosin B, liquiritigenin, 7,2′4′-trihydroxyisoflavone, demethylvestitol, and 1,1′-bi-2-naphthol was isolated and the antituberculosis activity of the compounds was studied. The structure of all compounds was elucidated with the aid of 1D and 2D NMR, UV spectroscopy, and HRESI mass spectrometry. The data obtained were also compared with the previous published data. Among compounds, 1,1′-bi-2-naphthol was found to exhibit the highest activity against <jats:italic>Mycobacterium tuberculosis</jats:italic> H37Rv with the MIC’s value of 10.9 µM while the biisoflavonoid with (4→6) inter-isoflavanyl linkage showed moderate activity with the MIC’s value of 92.2 nM, compared with isozianid as a positive control with the MIC’s value of 0.569 nM. It is worth to note that 1,1′-bi-2-naphthol and biisoflavonoid with (4→6) inter-isoflavanyl linkage were isolated for the first time from a natural source. Both compounds have been previously reported as synthetic compounds, which is synonymous with 3,4- <jats:italic>trans</jats:italic>-4-[(3<jats:italic>S</jats:italic>)-7,2′-dihydroxy-4′-methoxyisoflavan-6-yl]-7,2′-dihydroxy-4′-methoxyisoflavan and 1,1′-bi-2-naphthol, respectively. In this respect, the results of this study suggest that the roots of <jats:italic>S. grandiflora</jats:italic> is a potential source of new natural product compounds, with promising bioactivities.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"194 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139924197","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}
Several biomass wastes, including forest wastes, bagasse, algae, and others, have been studied to determine their biosorption capability for adsorbing different ranges of heavy metals in the literature. Most experimental studies have not clearly shown the impact of functional groups in biomaterials discovered by FTIR analysis on the investigated biosorption processes. Because of this, the findings of this study indicate that it is necessary to theoretically investigate the influence of identified functional groups (as determined by FTIR analysis) on the biosorption activities of the sorbent or biomaterial prepared for the removal of cadmium metal from an effluent. Using the most geometrical structure for cadmium (Cd) metal, a series of identified functional groups for the sorbent were analyzed using FTIR to determine their mode and intensity of interaction to computationally understand better how they each influence the biosorption of cadmium. This was done to determine how each functional group contributes to the intensity of the cadmium biosorption, using a ground-state B3LYP density functional theory calculation performed in a Spartan 20 simulation package utilizing the 6-31G* and LANL2DZ > Kr basis sets. According to the study’s findings, carboxylate (–COO*) had the most significant effect on cadmium biosorption activity of all the functional groups studied due to the stronger binding strength obtained for it. Therefore, this research suggests exploring biomaterials with greater intensity for carboxylate function, which would aid cadmium sorption efficiency in an effluent treatment process.
{"title":"Unraveling the influence of biomaterial’s functional groups in Cd biosorption: a density functional theory calculation","authors":"Toyese Oyegoke, Chidiebere Millicent Igwebuike, Ademola Oyegoke","doi":"10.1515/pac-2023-1103","DOIUrl":"https://doi.org/10.1515/pac-2023-1103","url":null,"abstract":"Several biomass wastes, including forest wastes, bagasse, algae, and others, have been studied to determine their biosorption capability for adsorbing different ranges of heavy metals in the literature. Most experimental studies have not clearly shown the impact of functional groups in biomaterials discovered by FTIR analysis on the investigated biosorption processes. Because of this, the findings of this study indicate that it is necessary to theoretically investigate the influence of identified functional groups (as determined by FTIR analysis) on the biosorption activities of the sorbent or biomaterial prepared for the removal of cadmium metal from an effluent. Using the most geometrical structure for cadmium (Cd) metal, a series of identified functional groups for the sorbent were analyzed using FTIR to determine their mode and intensity of interaction to computationally understand better how they each influence the biosorption of cadmium. This was done to determine how each functional group contributes to the intensity of the cadmium biosorption, using a ground-state B3LYP density functional theory calculation performed in a Spartan 20 simulation package utilizing the 6-31G* and LANL2DZ > Kr basis sets. According to the study’s findings, carboxylate (–COO*) had the most significant effect on cadmium biosorption activity of all the functional groups studied due to the stronger binding strength obtained for it. Therefore, this research suggests exploring biomaterials with greater intensity for carboxylate function, which would aid cadmium sorption efficiency in an effluent treatment process.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"28 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756646","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}
Shaoyan Fan, Koki Nasu, Yukio Takeuchi, Miho Fukuda, Hirotsugu Arai, Keisuke Taniguchi, Yuichi Onda
While 20 % of radionuclides released from the Fukushima Daiichi Nuclear Power Plant accident had been deposited in the terrestrial environment, rivers remain the long-term source for 137Cs, primarily through particulate transfer, from terrestrial to marine ecosystems. In this study, we estimated the suspended 137Cs flux to the ocean at 11 sites in the coastal area between October 2012 and December 2020 to be 17 TBq, based on our long-term monitoring data of concentrations of suspended 137Cs and suspended solids. The cumulative loss of suspended 137Cs from each site to the ocean ranged from 0.1 % to 1.7 % of initial deposition throughout the observation period, depending on the effect of dam lakes and normalized river discharge. The higher loss is also thought to be the large outflow of runoff during the typhoon. The current level of the suspended 137Cs concentrations was lowered to 1/10–1/100 of those immediately after the accident. The average value of the decreasing trend for each site was approximated using the equation: y = a1 e −k1t + a2 e −k2t. The rate constant k1 is higher in areas with intensive land use, such as pastures, bare land, and water surfaces, and k2 is lower in urban areas.
{"title":"Transport of radioactive materials from terrestrial to marine environments in Fukushima over the past decade","authors":"Shaoyan Fan, Koki Nasu, Yukio Takeuchi, Miho Fukuda, Hirotsugu Arai, Keisuke Taniguchi, Yuichi Onda","doi":"10.1515/pac-2023-0802","DOIUrl":"https://doi.org/10.1515/pac-2023-0802","url":null,"abstract":"While 20 % of radionuclides released from the Fukushima Daiichi Nuclear Power Plant accident had been deposited in the terrestrial environment, rivers remain the long-term source for <jats:sup>137</jats:sup>Cs, primarily through particulate transfer, from terrestrial to marine ecosystems. In this study, we estimated the suspended <jats:sup>137</jats:sup>Cs flux to the ocean at 11 sites in the coastal area between October 2012 and December 2020 to be 17 TBq, based on our long-term monitoring data of concentrations of suspended <jats:sup>137</jats:sup>Cs and suspended solids. The cumulative loss of suspended <jats:sup>137</jats:sup>Cs from each site to the ocean ranged from 0.1 % to 1.7 % of initial deposition throughout the observation period, depending on the effect of dam lakes and normalized river discharge. The higher loss is also thought to be the large outflow of runoff during the typhoon. The current level of the suspended <jats:sup>137</jats:sup>Cs concentrations was lowered to 1/10–1/100 of those immediately after the accident. The average value of the decreasing trend for each site was approximated using the equation<jats:italic>: y</jats:italic> = <jats:italic>a</jats:italic>1 <jats:italic>e</jats:italic> −<jats:italic>k</jats:italic> <jats:sub>1</jats:sub> <jats:italic>t</jats:italic> + <jats:italic>a</jats:italic>2 <jats:italic>e</jats:italic> −<jats:italic>k</jats:italic> <jats:sub>2</jats:sub>t. The rate constant <jats:italic>k</jats:italic> <jats:sub>1</jats:sub> is higher in areas with intensive land use, such as pastures, bare land, and water surfaces, and <jats:italic>k</jats:italic> <jats:sub>2</jats:sub> is lower in urban areas.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"17 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756650","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：