Pure and Applied Chemistry最新文献

{"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}

{"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}

{"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 <jats:italic>in vitro</jats:italic>, <jats:italic>in vivo</jats:italic>, <jats:italic>in situ</jats:italic>, <jats:italic>ab initio</jats:italic>, <jats:italic>in silico</jats:italic>, <jats:italic>post mortem</jats:italic>, <jats:italic>ex situ</jats:italic>, <jats:italic>posthumous</jats:italic>, <jats:italic>in vacuo</jats:italic>, <jats:italic>(in) operando</jats:italic>, <jats:italic>post facto</jats:italic>, and <jats:italic>ex post facto</jats:italic>, as used in the scientific literature, are considered. Uses of the Latin origin terms <jats:italic>in situ</jats:italic>, <jats:italic>extra situm</jats:italic>, <jats:italic>in operando</jats:italic>, <jats:italic>in vivo</jats:italic>, <jats:italic>in vacuo</jats:italic>, <jats:italic>in vitro</jats:italic>, <jats:italic>extra vivum</jats:italic>, <jats:italic>post facto</jats:italic> and <jats:italic>ex post facto</jats:italic>, <jats:italic>ab initiis</jats:italic>, <jats:italic>computatro</jats:italic>, and <jats:italic>post mortem</jats:italic> 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":"59 1","pages":""},"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}

{"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":"60 1","pages":""},"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}

{"title":"Perovskite: a key structure for a sustainable hydrogen economy","authors":"Alessandra Sanson","doi":"10.1515/pac-2023-1016","DOIUrl":"https://doi.org/10.1515/pac-2023-1016","url":null,"abstract":"Perovskites materials, due to their peculiar electronic and ionic properties, play a key role in the development of hydrogen-based technologies. Their flexible structure enables an easy tuning of various physical-chemical characteristics, such as ionic and electronic conductivity and redox active sites concentration, fundamental for these applications. Moreover, the same structure can exhibit different properties that can synergically act to improve the performance of the material for a specific application.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"162 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141506945","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}

{"title":"African Early Career Chemists Workshop & 8th Annual Symposium of the American Chemical Society, Nigeria International Chapter 2023","authors":"Nnanake-Abasi O. Offiong, Akwaowo I. Inyangudoh","doi":"10.1515/pac-2024-2005","DOIUrl":"https://doi.org/10.1515/pac-2024-2005","url":null,"abstract":"This preface introduces the proceedings of the African Early Career Chemists Workshop &amp; 8th Annual Symposium of the American Chemical Society (ACS), Nigeria International Chapter, which was held both virtually and onsite from June 4th to 8th, 2023. This special issue of Pure and Applied Chemistry (PAC) journal includes 8 manuscripts covering a range of topics from pure to applied chemistry.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"38 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141506946","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}

{"title":"Fire fighters and mass spectrometry: from the world of combustion to the molecular ion","authors":"Fabrizio Malaspina, Federica D’Aloise, Marco Pazzi, Vincenzo Bennardo","doi":"10.1515/pac-2024-0020","DOIUrl":"https://doi.org/10.1515/pac-2024-0020","url":null,"abstract":"The background and current studies in the area of fire investigation at the Turin Fire Department’s Forensic Laboratory. It is uncommon to find an investigation facility, and even less often within fire brigade headquarters, that uses GC-MS and GC-TOF extensively to look for accelerants. During 16 years of intense effort, the Turin Fire Department in Italy accomplished various research projects on the identification of flame accelerants and more in fire residues. This collaborative effort between academics and firefighters is unique. It is based on the perspectives of individuals who often fight fires before going on to investigation. The article will outline the study that was done, explain how advances in instrumentation have produced ever-better outcomes and the next steps in the foreseeable future.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"178 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141506947","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}

{"title":"Reactions of trans-[PtX2(pic)2] (Pic = γ-PICOLINE, X = Cl−, NO3 −) with N-acetyl-l-cysteine and glutathione","authors":"Sutopo Hadi, Noviany Noviany, Yandri Yandri","doi":"10.1515/pac-2023-1206","DOIUrl":"https://doi.org/10.1515/pac-2023-1206","url":null,"abstract":"The reactions of <jats:italic>trans</jats:italic>-[PtX<jats:sub>2</jats:sub>(pic)<jats:sub>2</jats:sub>] (pic = γ-picoline, X = Cl<jats:sup>−</jats:sup>, NO<jats:sub>3</jats:sub> <jats:sup>−</jats:sup>) with N-acetyl-<jats:sc>l</jats:sc>-cysteine (acSH) and glutathione (GSH) were monitored and followed by <jats:sup>1</jats:sup>H and <jats:sup>195</jats:sup>Pt NMR. In the reaction of <jats:italic>trans</jats:italic>-[Pt(pic)<jats:sub>2</jats:sub>(D<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>](NO<jats:sub>3</jats:sub>)<jats:sub>2</jats:sub> with acSH, in the <jats:sup>195</jats:sup>Pt NMR spectra, the most intense peak observed was <jats:italic>trans</jats:italic>-[Pt(pic)<jats:sub>2</jats:sub>(acS)}<jats:sub>2</jats:sub>(µ-acS)]<jats:sup>+</jats:sup> (3). The intermediate product which was not clearly seen in the spectra was formulated as <jats:italic>trans</jats:italic>-[Pt (pic)<jats:sub>2</jats:sub>(acS)(D<jats:sub>2</jats:sub>O)]<jats:sup>+</jats:sup> (2), with the weaker peak one as <jats:italic>trans</jats:italic>-[Pt(pic)<jats:sub>2</jats:sub>(acS)<jats:sub>2</jats:sub>] (1). With GSH, the main product observed was <jats:italic>trans</jats:italic>-[Pt(pic)<jats:sub>2</jats:sub>(GS)<jats:sub>2</jats:sub>] (4), while the intermediate product was not observed during this study. In the reactions of <jats:italic>trans</jats:italic>-[PtCl<jats:sub>2</jats:sub>(pic)<jats:sub>2</jats:sub>] with acSH, besides complexes 1 and 3 formed, the formation of <jats:italic>trans</jats:italic>-[Pt(pic)<jats:sub>2</jats:sub>Cl(acS)] (6) was also observed in the NMR spectra, while when it was reacted with GSH, followed a similar course to that of with acSH, but more slowly.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"20 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141514692","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}

{"title":"An antimicrobial acrylic polyurethane coating with TiO2-Ag hybrid nanoparticles","authors":"Thien Vuong Nguyen, Truc Vy Do, Thu Ha Hoang, Tuan Anh Nguyen, Le Trong Lu, Thi Mat Le, Thanh Minh Pham, Raa Khimi Shuib, Dai Lam Tran","doi":"10.1515/pac-2024-0019","DOIUrl":"https://doi.org/10.1515/pac-2024-0019","url":null,"abstract":"The purpose of this work is to fabricate the advanced organic antibacterial coating containing the strong photocatalytic nanomaterials. For this purpose, firstly the TiO<jats:sub>2</jats:sub>–Ag hybrid nanoparticles are synthesized by chemical reduction method. Then, the antibacterial coating based on acrylic polyol, polyisocyanate, and these TiO<jats:sub>2</jats:sub>–Ag hybrid nanoparticles has been prepared. Mechanical properties show that the optimal content of TiO<jats:sub>2</jats:sub>–Ag hybrid nanoparticles in the coating matrix is 2 wt%, with its abrasion resistance of 166.2 L/mil; impact strength of 195 kg cm; adhesion of size #1 and relative hardness of 0.78. In addition, FE-SEM analysis shows that the nanocomposite coating has a tight structure with homogeneous dispersion of TiO<jats:sub>2</jats:sub>–Ag nanoparticles in the polymer matrix. The paint film has good antibacterial activity and has great application prospects. Data from the antibacterial test indicates that in the presence of an acrylic polyurethane coating containing 2 wt% TiO<jats:sub>2</jats:sub>–Ag, the number of viable <jats:italic>Escherichia coli</jats:italic> decreased from 3.4 × 10<jats:sup>5</jats:sup> CFU/ml to 1.5 × 10<jats:sup>2</jats:sup> CFU/ml after 24 h of culture.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"331 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141196636","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}

{"title":"Biological potentials of Landolphia owariensis leaf methanolic extract against pathogenic fungi isolates from different Dioscorea species","authors":"Olaitan C. Okechukwu, Enitan O. Adesanya","doi":"10.1515/pac-2023-1129","DOIUrl":"https://doi.org/10.1515/pac-2023-1129","url":null,"abstract":"Regarding economic significance, the Dioscoreaceae family, which includes the well-known Dioscorea (yam) species, is the fourth most important tuber crop globally. A basic meal found all across the world, yams encourage and ensure the food security of households. Although they are challenging to preserve and store however a post-harvest deterioration control must be developed. Over the years, Nigerian farmers have employed medicinal herbs to manage post-harvest pest invasion; nevertheless, the scientific basis for this fungal management has not yet been well documented. As a result, <jats:italic>Landolphia owarensis</jats:italic> leaf extract was used as a biological control, and fungi were isolated from <jats:italic>Dioscorea cayenensis</jats:italic>, <jats:italic>Dioscorea alata</jats:italic>, and <jats:italic>Discorea rotundata</jats:italic>. Samples of yam tubers – both rotten and healthy – were procured in the markets and brought to the lab for fungus isolation and identification. Leaves of <jats:italic>Landolphia oweriensis</jats:italic> were collected, air-dried, milled, and macerated in pure methanol for 72 h, extracted and concentrated with a rotary evaporator. The agar-well diffusion method was used for the biological control assay against the fungal isolates. The biological control results were presented as mean ± SD (standard deviation) while analysis of variance (Anova) was used to deduce least significant difference (LSD). A total number of 605 fungi isolates were observed in which <jats:italic>D</jats:italic>. <jats:italic>cayenensis</jats:italic> had the highest, 50.58 %, <jats:italic>D. alata</jats:italic> and <jats:italic>Discorea rotundata</jats:italic> 24.71 % respectively. <jats:italic>Aspergillus niger</jats:italic> and <jats:italic>Aspergillus fumigatus</jats:italic> were found in the three species while <jats:italic>Aspergillus flavus</jats:italic>, <jats:italic>Rhizopus stolonifer</jats:italic>, <jats:italic>Collentotricum spp</jats:italic>. and <jats:italic>Penicillium spp</jats:italic>. in either of the species. <jats:italic>L. owarensis</jats:italic> methanolic leaves extracts possesses biological potentials against <jats:italic>Colletotrium spp., A. fumigatus</jats:italic>, <jats:italic>A. niger</jats:italic> and <jats:italic>A. flavus</jats:italic> only. The problem of postharvest fungal invasion of <jats:italic>Dioscorea</jats:italic> species can be solved with the inhibition observed with <jats:italic>L. owarensis</jats:italic> methanolic leaves extracts as a biological control measure thereby sustaining food security in the world.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"21 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141169579","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}