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Experimental and computational study of a multi-active-site Schiff base as corrosion inhibitor of mild steel in 1M HCl 多活性位点席夫碱作为 1M HCl 中低碳钢缓蚀剂的实验和计算研究
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2024-01-23 DOI: 10.1071/ch23196
Xiaolong Li, Ting Long, Qian Wu, Chuan Lai, Yue Li, Junlan Li, Boyan Ren, Keqian Deng, Chaozheng Long, Shuting Zhao
{"title":"Experimental and computational study of a multi-active-site Schiff base as corrosion inhibitor of mild steel in 1M HCl","authors":"Xiaolong Li, Ting Long, Qian Wu, Chuan Lai, Yue Li, Junlan Li, Boyan Ren, Keqian Deng, Chaozheng Long, Shuting Zhao","doi":"10.1071/ch23196","DOIUrl":"https://doi.org/10.1071/ch23196","url":null,"abstract":"<p>In this study, the corrosion inhibition behavior of <i>N</i>,<i>N</i>′-(1,4-phenylene)bis(1,1-di(pyridin-2-yl)methanimine) (PBDPM) on mild steel in 1 M HCl at 30°C was evaluated under steady conditions. The corrosion inhibitor was synthesized by a one-step method. Electrochemical, energy dispersion spectrum (EDS) and water contact angle results revealed the adsorption behavior of the inhibitor at the metal–solution interface. The adsorption of PBDPM obeys the Langmuir adsorption isotherm. It is obvious that PBDPM exhibits good inhibition performance presumably due to its high surface coverage, as it forms a dense protective film on the surface of mild steel. The adsorption configuration and structure–activity relationships of the inhibitor were also explored theoretically by density functional theory (DFT) and molecular dynamics (MD), and the thermodynamic parameters and molecular active sites (the values of electrophilic attack and nucleophilic attack) were calculated.</p>","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139557150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recognising a beacon of teaching and learning leadership in Australian chemistry 表彰澳大利亚化学教与学领导力的灯塔
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2024-01-08 DOI: 10.1071/ch23146
Alex C. Bissember, Reyne Pullen, Gwendolyn A. Lawrie
{"title":"Recognising a beacon of teaching and learning leadership in Australian chemistry","authors":"Alex C. Bissember, Reyne Pullen, Gwendolyn A. Lawrie","doi":"10.1071/ch23146","DOIUrl":"https://doi.org/10.1071/ch23146","url":null,"abstract":"<p>This Highlight article considers key contributions made by Professor Brian Yates to the Australian chemistry academic community in recognition of his seminal leadership that led to the establishment of the Chemistry Threshold Learning Outcomes (CTLOs) as national assessment standards. These CTLOs currently underpin the Royal Australian Chemical Institute (RACI) process of the professional accreditation of chemistry majors in Australian tertiary institutions and, hence, provide benchmarks of learning in our discipline. Examples of contemporary assessment approaches in chemistry are presented to inform academics who are seeking to assess learning outcomes beyond threshold standards and to inspire future innovative assessment approaches.</p>","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139410663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cobalt(II) catalytic oxidation of arylmethyl sulfonyl imines to arylcarbonyl analogues 钴（II）催化芳基甲基磺酰亚胺氧化成芳基羰基类似物
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2024-01-08 DOI: 10.1071/ch23190
Zetao Ma, Peipei Ma, Hongli Wu, Haifeng Gan
{"title":"Cobalt(II) catalytic oxidation of arylmethyl sulfonyl imines to arylcarbonyl analogues","authors":"Zetao Ma, Peipei Ma, Hongli Wu, Haifeng Gan","doi":"10.1071/ch23190","DOIUrl":"https://doi.org/10.1071/ch23190","url":null,"abstract":"<p>A novel Co(OAc)<sub>2</sub>/<i>N</i>-hydroxyphthalimide (NHPI)-catalyzed oxidation of 3-arylmethyl sulfonyl imines to prepare 3-arylcarbonyl analogues has been realized. 3-Arylcarbonyl sulfonyl imines were comprehensively synthesized from benzyl substrates for the first time. The reactions proceeded in moderate to excellent yields. Mechanistic investigation suggests that 3-(hydroperoxy(phenyl)methyl)benzo[<i>d</i>]isothiazole 1,1-dioxide <b>A</b> is the key intermediate for the formation of products <b>2</b>.</p>","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139410667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lanthanide coordination polymers based on an aromatic dicarboxylic acid and 1,10-phenanthroline ligands: synthesis, structure and luminescence properties 基于芳香族二羧酸和 1,10-菲罗啉配体的镧系元素配位聚合物：合成、结构和发光特性
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2023-12-12 DOI: 10.1071/ch23149
Shu-Ju Wang, Yang Liu, Zhi-Qing Zhang, Qian Li, Gang Xiong, Li-Xin You, Yaguang Sun
{"title":"Lanthanide coordination polymers based on an aromatic dicarboxylic acid and 1,10-phenanthroline ligands: synthesis, structure and luminescence properties","authors":"Shu-Ju Wang, Yang Liu, Zhi-Qing Zhang, Qian Li, Gang Xiong, Li-Xin You, Yaguang Sun","doi":"10.1071/ch23149","DOIUrl":"https://doi.org/10.1071/ch23149","url":null,"abstract":"<p>A novel series of lanthanide coordination polymers (Ln-CPs) have been obtained based on mixed ligands, 2-[(4-carboxyphenyl)methoxy]benzoic acid (H<sub>2</sub>cob) and 1,10-phenanthroline (phen), namely {Ln[(Hcob)(cob)(phen)]<sub><i>n</i></sub>, Ln = La (<b>1</b>), Pr (<b>2</b>), Sm (<b>3</b>), Eu (<b>4</b>)}. Complexes <b>1</b>–<b>4</b> were characterized by single crystal X-ray diffraction, elemental analysis, powder X-ray diffraction, infrared spectroscopy and thermogravimetric analysis. Single crystal X-ray diffraction revealed that complexes <b>1</b>–<b>4</b> show two-dimensional layer structures. The luminescence properties of complexes <b>3</b> and <b>4</b> were thoroughly investigated.</p>","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138689400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A novel ratiometric fluorescent sensor based on terpyridine derivatives for Zn 2+ in aqueous solution 基于三元吡啶衍生物的水溶液中zn2 +的新型比例荧光传感器
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2023-11-23 DOI: 10.1071/ch23153
Qinghong Bai, Yangming Jiang, Enming Hu, Libin Lv, Chenghui Wang, Xin Xiao
{"title":"A novel ratiometric fluorescent sensor based on terpyridine derivatives for Zn 2+ in aqueous solution","authors":"Qinghong Bai, Yangming Jiang, Enming Hu, Libin Lv, Chenghui Wang, Xin Xiao","doi":"10.1071/ch23153","DOIUrl":"https://doi.org/10.1071/ch23153","url":null,"abstract":"<p>Terpyridine and its derivatives have good binding affinity for most transition metal ions due to the arrangement of their three pyridine nitrogen atoms. In this work, a new ratiometric fluorescent probe <b>G</b>, which is based on a styrylpyridinium attached to a terpyridine fluorophore, was synthesized and characterized. The fluorescence spectrum of probe <b>G</b> shows a good response to Zn<sup>2+</sup> by an intramolecular charge transfer effect. On increasing the concentration of Zn<sup>2+</sup>, the fluorescence color of probe <b>G</b> changes from blue to yellow. Importantly, probe <b>G</b> has a high selectivity for Zn<sup>2+</sup>and is not affected by other metal ions, including Cd<sup>2+</sup>. In addition, the limit of detection (LOD) of probe <b>G</b> for Zn<sup>2+</sup> was found to be up to 0.17 µM. The results show that probe <b>G</b> has the ability to selectively recognize Zn<sup>2+</sup> in aqueous solution.</p>","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138510236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and antibacterial activity of 6″-decanesulfonylacetamide-functionalised amphiphilic derivatives of amikacin and kanamycin 6个″-十胺磺酰乙酰胺功能化的阿米卡星和卡那霉素两亲性衍生物的合成及其抗菌活性
4区 化学
Australian Journal of Chemistry Pub Date : 2023-11-13 DOI: 10.1071/ch23154
Dylan C. Farr, Lendl Tan, Juanelle Furness, I. Darren Grice, Nicholas P. West, Todd A. Houston
{"title":"Synthesis and antibacterial activity of 6″-decanesulfonylacetamide-functionalised amphiphilic derivatives of amikacin and kanamycin","authors":"Dylan C. Farr, Lendl Tan, Juanelle Furness, I. Darren Grice, Nicholas P. West, Todd A. Houston","doi":"10.1071/ch23154","DOIUrl":"https://doi.org/10.1071/ch23154","url":null,"abstract":"Aminoglycoside antibiotics represent the first class of successful drugs in the treatment of tuberculosis; however, mycobacteria and other bacterial species possess several drug resistance mechanisms to inactivate these natural products. In the past 15 years, a variety of amphiphilic aminoglycosides have been shown to have improved activity against infectious microorganisms and to subvert resistance mechanisms. Here, we report on four novel synthetic compounds derived from two existing potent antitubercular compounds and describe their activity against both Mycobacterium tuberculosis and Staphylococcus aureus. It was found that a decanesulfonylacetamide-based conjugate of amikacin displayed promising preliminary antitubercular activities, warranting further investigation to assess the therapeutic potential of these unique antimicrobials.","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136348636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green synthesis of dual-spinneret electrospun polyacrylonitrile–ZnO@β-cyclodextrin–chitosan nanofibrous nanocomposite as a novel nano-biosorbent 绿色合成双喷丝网静电纺聚丙烯腈- zno @β-环糊精-壳聚糖纳米纤维复合材料作为新型纳米生物吸附剂
4区 化学
Australian Journal of Chemistry Pub Date : 2023-09-27 DOI: 10.1071/ch23098
Sohrab Hajmohammadi, Dadkhoda Ghazanfari, Enayatollah Sheikhhosseini, Nahid Rastakhiz, Hamideh Asadollahzadeh
{"title":"Green synthesis of dual-spinneret electrospun polyacrylonitrile–ZnO@β-cyclodextrin–chitosan nanofibrous nanocomposite as a novel nano-biosorbent","authors":"Sohrab Hajmohammadi, Dadkhoda Ghazanfari, Enayatollah Sheikhhosseini, Nahid Rastakhiz, Hamideh Asadollahzadeh","doi":"10.1071/ch23098","DOIUrl":"https://doi.org/10.1071/ch23098","url":null,"abstract":"A significant range of intriguing nanomaterials includes photocatalytic and antibacterial nanocomposites, which exhibit great efficacy in water treatment. In this work, Euphorbia hebecarpa extract was used as a novel natural reducing agent to investigate the environmentally friendly production of ZnO@β-cyclodextrin (CD) nanoparticles (NPs). In the following, polyacrylonitrile, ZnO@β-CD and chitosan nanofibers were electrospun concurrently using a dual-electrospinning process to create a unique nano-biosorbent made of polyacrylonitrile (PAN)–ZnO@β-CD–chitosan (CS) nanofibrous nanocomposite. Additionally, this nanocomposite’s effectiveness as a novel photocatalyst and antibacterial agent for eliminating organic dyes like methylene blue was evaluated. Field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) analysis, Fourier-transform infrared (FTIR) spectroscopy and Raman spectroscopy (RS) were used to analyze the structure of the nanocomposite. The outcomes verified the production of ZnO@β-CD, which had evenly shaped particles with an average size of 45 nm on the nanofibrous matrix. This nanocomposite exhibited removal efficiency of methylene blue of ~90% after 105 min at pH 7 and 2.5 g L−1 nanocomposite concentration. Furthermore, an antibacterial test revealed that PAN–ZnO@β-CD–CS nanofibrous nanocomposite with 6% ZnO showed over 80% reduction in colony-forming units per millilitre against Bacillus cereus, Staphylococcus epidermidis and Streptococcus iniae.","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135477805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Retraction notice to &#x2018;Three Cu<sup>II</sup> and Co<sup>II</sup> coordination complexes containing tridentate schiff base moieties induce ROS generation and lead to caspase-dependent apoptotic cell death in intracranial aneurysm&#x2019; [<i>Australian Journal of Chemistry</i> (2019) doi:10.1071/CH18641] 撤稿通知&#x2018;Three Cu&lt;sup&gt;和Co&lt; sup&gt; II&lt; / sup&gt;含有三叉状希夫碱的配合物诱导ROS生成并导致颅内动脉瘤中caspase依赖性凋亡细胞死亡&#x2019;[&lt;i&gt;澳大利亚化学杂志&lt;/i&gt;(2019) doi: 10.1071 / CH18641]
4区 化学
Australian Journal of Chemistry Pub Date : 2023-09-15 DOI: 10.1071/ch18641_re
{"title":"Retraction notice to &amp;#x2018;Three Cu&lt;sup&gt;II&lt;/sup&gt; and Co&lt;sup&gt;II&lt;/sup&gt; coordination complexes containing tridentate schiff base moieties induce ROS generation and lead to caspase-dependent apoptotic cell death in intracranial aneurysm&amp;#x2019; [&lt;i&gt;Australian Journal of Chemistry&lt;/i&gt; (2019) doi:10.1071/CH18641]","authors":"","doi":"10.1071/ch18641_re","DOIUrl":"https://doi.org/10.1071/ch18641_re","url":null,"abstract":"","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135436742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Professor Edouard Nice 爱德华·尼斯教授
IF 1.1 4区 化学
Australian Journal of Chemistry Pub Date : 2023-08-11 DOI: 10.1071/ch23094
J. Wade, M. Aguilar
{"title":"Professor Edouard Nice","authors":"J. Wade, M. Aguilar","doi":"10.1071/ch23094","DOIUrl":"https://doi.org/10.1071/ch23094","url":null,"abstract":"","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81547571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
<i>Corrigendum to</i>: A holistic approach towards a generalizable machine learning predictor of cell penetrating peptides &lt;/i&gt;更正&lt;/i&gt;:对细胞穿透肽的可推广机器学习预测器的整体方法
4区 化学
Australian Journal of Chemistry Pub Date : 2023-08-11 DOI: 10.1071/ch22247_co
Bahaa Ismail, Sarah Jones, John Howl
{"title":"&lt;i&gt;Corrigendum to&lt;/i&gt;: A holistic approach towards a generalizable machine learning predictor of cell penetrating peptides","authors":"Bahaa Ismail, Sarah Jones, John Howl","doi":"10.1071/ch22247_co","DOIUrl":"https://doi.org/10.1071/ch22247_co","url":null,"abstract":"The development of machine learning (ML) predictors does not necessarily require the employment of expansive classifiers and complex feature encoding schemes to achieve the highest accuracy scores. It rather requires data pre-processing, feature optimization, and robust evaluation to ensure consistent results and generalizability. Herein, we describe a multi-stage process to develop a reliable ML predictor of cell penetrating peptides (CPPs). We emphasize the challenges of: (i) the generation of representative datasets with all required pre-processing procedures; (ii) comprehensive and exclusive encoding of peptides using their amino acid composition; (iii) obtaining an optimized feature set using a simple classifier (support vector machine, SVM); (iv) ensuring consistent results; and (v) verifying generalizability at the highest achievable accuracy scores. Two peptide sub-spaces were used to generate the negative examples, which are required, along with the known CPPs, to train the classifier. These included: (i) randomly generated peptides with all amino acid types being equally represented and (ii) extracted peptides from receptor proteins. Results indicated that the randomly generated dataset performed perfectly well within its own peptide sub-space, while it poorly generalized to the other sub-space. Conversely, the dataset extracted from receptor proteins, while achieving lower accuracies, showed a perfect generalizability to the other peptide sub-space. We combined the qualities of these two datasets by utilizing the average of their predictions within our ultimate framework. This functional ML predictor, WLVCPP, and associated software and datasets can be downloaded from <a ext-link-type=\"uri\" href=\"https://github.com/BahaaIsmail/WLVCPP\">https://github.com/BahaaIsmail/WLVCPP</a>.","PeriodicalId":8575,"journal":{"name":"Australian Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135396603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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