Main Group Chemistry最新文献

{"title":"Absorbance and emission studies in solution and the solid state and band gap determination of Pri3Ge(GePh2)4GePri3","authors":"F. A. Shumaker, C. S. Weinert","doi":"10.3233/mgc-220100","DOIUrl":"https://doi.org/10.3233/mgc-220100","url":null,"abstract":"The hexagermane Pri3Ge(GePh2)4GePr i3 (1) can adopt four different conformations by rotations about its germanium –germanium single bonds that differ in energy across an energy range of 31.63 kJ/mol, with the trans-coplanar arrangement having the lowest energy. Conformational changes can occur among these four structures resulting in the observation of thermochromic absorbance spectra both in solution and in the solid state. Bathochromic shifts of 5 nm and 15 nm were observed in solution and in the solid state with increasing temperature. Compound 1 is also luminescent both in solution and in the solid state. The solution emission spectra are solvent dependent and the solid state emission maxima were shown to be temperature dependent. When 1 is excited at 300 nm in the solid state at 80 K its emission spectrum contains a broad emission peak in the visible region and this emission can be observed with the naked eye. The indirect band gap of 1 was determined to be 3.25 eV, which is consistent with investigations on other related oligogermane systems.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81226041","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":"Preparation and characterization of novel energetic nitrogen-rich polymers based on 1,3,5-triazine rings","authors":"E. Rezaii, Leila Nazmi Miardan, R. Fathi, M. Mahkam","doi":"10.3233/mgc-220051","DOIUrl":"https://doi.org/10.3233/mgc-220051","url":null,"abstract":"Recently, the demand for new renewable and sustainable polymers, as well as their use as precursors to produce energetic materials, has emerged as a popular and burgeoning area of study. In this study, novel energetic nitrogen-rich polymers based on the 1,3,5-triazine ring were synthesized utilizing standard techniques. Four monomers were created initially: 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazine-2-amine (A), 1,1’-bis(4,6-dichloro-1,3,5-triazine-2-yl)-1 H,1’H-5,5’-bitetrazole (B), 2,4,6-trihydrazinyl-1,3,5-triazine (C), N-(4-chlorophenyl)-4,6-dihydrazinyl-1,3,5-triazin-2-amine (D) In the second step, seven novel polymers named CHTA, TBT, TBTH, CTBT, THT, CTC, and TCT were synthesized via polyaddition reactions with monomers. Infra-red spectroscopy was used to characterize the nitrogen-rich polymers that were formed (IR). TGA measurements were utilized to investigate the thermal stability of substances. In addition, SEM and 1HNMR were utilized to describe the compounds. The results of thermal analysis indicate that TBT, CTC, and TCT are less stable than other nitrogen-rich polymers. The reaction yield for synthesized energetic polymer were 73%, 92%, 67%, 80%, 84%, 72%and 74%for CHTA, TBT, TBTH, CTBT, THT, CTC and TCT respectively.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79639820","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":"Nano-CuOx for ciprofloxacin effective removal via wet peroxide oxidation catalysis and its practical application in wastewater","authors":"Dan Liu, Chang-Hong Shi, Yang Nie, Wenjun Peng, Yin-an Ming","doi":"10.3233/mgc-220104","DOIUrl":"https://doi.org/10.3233/mgc-220104","url":null,"abstract":"Using Cu(NO3)2·3H2O as active material and citric acid (CA) as complexing agent, heterogeneous catalyst nano-CuOx was prepared by sol-gel method. The catalytic wet peroxide oxidation (CWPO) reaction system was established accordingly. The system was used to treat ciprofloxacin (CIP) in simulated wastewater and real wastewater. The effects of the molar ratio of metal salt to CA, calcination temperature, H2O2 dosage, reaction temperature, and catalyst dosage on the physicochemical structure and the properties of CWPO were investigated. The results showed that when the molar ratio of CA to metal salt (Cu(NO3)2·3H2O) was 1.8, the calcination temperature was 500 °C, the concentration of H2O2 was 10 mmol · L–1, the reaction temperature was 95 °C, and the dosage of catalyst was 1 g · L–1, CWPO system has the best degradation effect on CIP. At thses optical conditions, the removal rate reached 86.8%, chemical oxygen demand (COD) removal rate reached 54.9%, and the recycling rate of the catalyst was very good. The refractory organics in actual pharmaceutical wastewater could be oxidized by this system as well, and the COD removal rate reaches 47%. The degradation mechanism of CIP showed that the main functions of the CWPO system were ·O2– and ·OH radicals. The possible degradation pathways were determined by ion chromatography to be intermediate products generated from piperazine ring cleavage, defluorination, decarboxylation, and quinoline hydroxylation of CIP. The catalyzing mechanism was investigated in detail; some useful information was obtained in this work.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80988123","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":"DFT, molecular docking and ADME prediction of tenofovir drug as a promising therapeutic inhibitor of SARS-CoV-2 Mpro","authors":"S. Shahab, M. Sheikhi, Maksim Khancheuski, H. Yahyaei, H. A. Almodarresiyeh, S. Kaviani","doi":"10.3233/mgc-220046","DOIUrl":"https://doi.org/10.3233/mgc-220046","url":null,"abstract":"In the present work, at first, DFT calculations were carried out to study the molecular structure of the tenofovir at B3LYP/MidiX level of theory and in the water as solvent. The HOMO/LUMO molecular orbitals, excitation energies and oscillator strengths of investigated drug were also calculated and presented. NBO analysis was performed to illustrate the intramolecular rehybridization and electron density delocalization. In the following, a molecular docking study was performed for screening of effective available tenofovir drug which may act as an efficient inhibitor for the SARS-CoV-2 Mpro. The binding energy value showed a good binding affinity between the tenofovir and SARS-CoV-2 Mpro with binding energy of-47.206 kcal/mol. Therefore, tenofovir can be used for possible application against the SARS-CoV-2 Mpro.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78515135","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":"Easy to make highly efficient FG@ACC stable platform for sp3C-CF3 bond generation and NADH regeneration under sun light","authors":"Surendra Kumar Jaiswal, R. Yadav, Krishna Kumar, Satyam Singh, Surabhi Chaubey, Pooja S. Singh, S. Tripathi, S. K. Gupta, T. W. Kim, A. Singh","doi":"10.3233/mgc-220071","DOIUrl":"https://doi.org/10.3233/mgc-220071","url":null,"abstract":"The conversion of sun light energy into sustainble greener chemicals are a major obstacle due to the use of expensive and toxic materials. Sun light induced trifluoromethylation emerges as a highly efficient procedure to insert trifluoromethyl groups into the organic compounds. Yet, the expensive and toxic properties of the metal-based photocatalysts creates a major obstacle for the insertion of trifluoromethyl groups. Metal free activated carbon cloth (ACC) emerged as a highly efficient pillar in the area of material science. In this work, we have successfully synthesized self-assembled metal free fast green with activated carbon cloth (FG@ACC) photocatalyst for photocatalytic trifluoromethylation and reduced nicotinamide adenine dinucleotide (NADH) cofactor regeneration (85.89 %, 2 h) under sun light. The sun light induced organic transformation promotes the use of low-cost CF3SO2Na as the CF3 radical source to produce highly selective products with 97% yield.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80420177","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":"Determination of metal ions release from orthodontic archwires in artificial saliva using inductively coupled plasma-optical emission spectrometer (ICP-OES)","authors":"Christos Ganidis, A. Nikolaidis, C. Gogos, E. Koulaouzidou","doi":"10.3233/mgc-220013","DOIUrl":"https://doi.org/10.3233/mgc-220013","url":null,"abstract":"Over the last decades many concerns have been raised regarding the migration of potentially toxic metals from the orthodontic appliances to the oral environment due to the dynamic dominant conditions. The current study aimed to investigate the effect of the oral environment acidity and aging time on the ion release from orthodontic archwires. For this purpose, dental archwires consisted of three different alloys were immersed in artificial saliva of varied pH values for 7 and 30 days at 37±1°C. The liquid extracts were then analyzed with inductively coupled plasma-optical emission spectrometer (ICP-OES). It was found that the released ion species and the measured concentrations were not in accordance with manufacturers’ data. Furthermore, the leachates were mainly enriched with Cr and Ni ions by decreasing the saliva pH, while most of the archwires released the highest amounts of Ni, Mn and Cr ions after 30 days aging at pH = 3.5. Independent of the material type or the aging conditions, the total release of Ni and Cr ions was within the considered average dietary intake levels.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76541012","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 analysis of preservice teachers’ scientific attitude in analytical chemistry laboratory with experiential learning","authors":"F. Alkan","doi":"10.3233/mgc-220055","DOIUrl":"https://doi.org/10.3233/mgc-220055","url":null,"abstract":"The aim of this study is to examine in detail the effect of experiential learning in analytical chemistry laboratory on preservice teachers’ scientific attitudes and to examine their views on the qualitative analysis in analytical chemistry laboratory. The study group consisted of 27 preservice chemistry teachers. The study was designed by mixed method. The scientific attitude scale and note to self-form were used as data collection tools. From the results, it was observed that the scientific attitudes of preservice chemistry teachers increased significantly. When the scores in the sub-dimensions of the scientific attitude scale are compared, it is noteworthy that there is a significant difference in the third dimension “being a scientist or working in a job.” According to the note to self-form preservice teachers’ notes were categorised as cognitive field note, sensory field note, and psychomotor field note.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90606247","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":"Microassay validation for bacterial IAA estimation as a new fine-tuned PGPR screening assay","authors":"S. Abdelwahed, Hanene Cherif, Bilel Bejaoui, Ilhem Saadouli, T. Hajji, N. Ben Halim, A. Ouertani, I. Ouzari, A. Cherif, W. Mnif, A. Mosbah, A. Masmoudi","doi":"10.3233/mgc-210124","DOIUrl":"https://doi.org/10.3233/mgc-210124","url":null,"abstract":"The detection and quantification of Indole -3 Acetic Acid (IAA) produced by Plant growth promoting rhizobacteria (PGPR) rely on a standard well-documented assay, which remains time-consuming, laborious, and costly. These drawbacks led to sway interest to economic and reliable assays. The aim of this work is to validate and standardize a fast, reliable, and cost-effective microassay to quantify IAA produced by bacteria with an easy microplate method. In order to validate the accuracy of the IAA microplate assay, bacterial samples from different genera were assayed using two methods: the conventional IAA estimation assay and the IAA micro- assay. The microassay shows a prominent reduction in used bacterial supernatant volume as well as Salkowski reagent volume of about 92.5%. It is considerably cheaper than the conventional one of around 56%. The newly performed microplate assay is 23 times faster. The result of IAA quantitative analysis for 13 bacterial strains showed that Bacillus muralis and Bacillus toyonensis produced the highest IAA concentration (23.64±0.003μg/ml and 23.35±0.006μg/ml, respectively). The obtained data from both methods were highly correlated with an R-value of 0.979. The microassay offers the ability to read the optical density of all samples simultaneously since used volumes of bacterial supernatants and Salkowski reagent were minimized to place the mixture in 96-well microplates, which reduces greatly required labor. Furthermore, the application of the IAA micro-plate assay reduces drastically the reagent waste and toxicity hazard of Salkowski reagent in the environment, thus, we can classify it as eco-friendly respecting the Green Chemistry concept according to Environmental Protection Agency (EPA). The IAA microassay is a, reliable, rapid and cost-effective and eco-friendly method to screen plant growth promoting potential of more than 23 bacterial strains by microplate. It could be an alternative for the conventional IAA assay as a routine research tool.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85168263","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":"The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state","authors":"A. Yazdi, Azam Najafloo, Hossein Sakhaeinia, Amirhossein Saali, V. Pirouzfar","doi":"10.3233/mgc-220064","DOIUrl":"https://doi.org/10.3233/mgc-220064","url":null,"abstract":"In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental data points with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide partial pressure (0.0001 KPa –5473 KPa), and carbon dioxide loading (0.04 –1.1). Ternary systems including water, carbon dioxide and diethanolamine have also been modeled by PC-SAFT and SAFT-HR equations of state based on bubble pressure algorithm. Binary interaction parameters are set to zero to show the genuine capability of equations of state in reproducing such experimental data. Provided modeling results have been obtained from MATLAB R2019b software for PC-SAFT equation of state are less deviated with experimental data. Overall average relative deviation of SAFT-HR and PC-SAFT are 45.452% and 4.374% respectively which show that PC-SAFT is a robust equation of state in predicting the solubility data of carbon dioxide in aqueous alkanolamine solutions.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78377495","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":"Spectroscopic and photophysicochemical properties of zinc(II) phthalocyanine substituted with benzenesulfonamide units containing schiff base","authors":"Gülen Atiye Öncül, Ö. Öztürk, M. Pişkin","doi":"10.3233/mgc-220067","DOIUrl":"https://doi.org/10.3233/mgc-220067","url":null,"abstract":"In this study, compounds (E)-4-((5-bromo-2-hydroxy-3-methoxybenzylidene)amino)-N-(pyridin-2-yl)benzenesul-fonamide 1, (E)-4-((5-bromo-2-(3,4-dicyanophenoxy)-3-methoxybenzylidene)amino)-N-(pyridin-2-yl)benzenesulfonamide 2 and, complex 2(3),9(10),16(17),23(24)-tetra-[(E)-4-((5-bromo-3-methoxy-2-(λ 1-oxidanyl)benzylidene)amino)-N-(pyridine-2-yl)benzenesulfonamide]phthalocyaninato zinc(II) 3 were synthesized for the first time. Their structures (1 –3) were characterized by spectroscopic methods such as FTIR, 1H NMR,13C NMR, UV–vis, MALDI-TOF mass spectra and elemental analysis. The spectroscopic, aggregation, photophysical and photochemical properties of zinc(II) phthalocyanine 3 in dimethyl sulfoxide were investigated and the effects on the above-mentioned properties were reported as a result of the presence of benzenesulfonamide derivatives containing different bioactive groups, in their peripheral positions. In addition, its above-mentioned properties were also reported by comparing different species with those of their substituted and/or unsubstituted counterparts. The zinc(II) phthalocyanine 3 can be a potential photosensitizer candidate in photodynamic therapy, which is an effective alternative therapy in cancer treatment, due to its good solubility in commonly known solvents and monomeric species, as well as its adequate and favorable fluorescence, singlet oxygen production and photostability.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76755554","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}