Pub Date : 2022-01-01DOI: 10.52568/001121/jcsp/44.05.2022
S. S. Sajid Hussain, S. F. H. A. S. U. A. S F Hasany and Syed Usman Ali
Hybrid nanomaterials with different sizes, shapes, compositions, and morphology have gained importance for numerous physicochemical, electrical and magnetic acumens. Multi-Walled Carbon nanotubes (MWCNTs) can be decorated with various metals to produce nanohybrids to attain desired features for leading high-tech applications. The presented research work comprises a cost- effective wet chemical method to fabricate Hematite based (α-Fe2O3- MWCNTs) nanohybrids. Physicochemical characteristics were studied by XRD, FTIR, SEM and VSM, and EDX, respectively. Results showed well-decorated hematite nanocrystals (size ~ 26nm) on the surface of MWCNTs. Magnetic behaviors exhibited a ferromagnetic material with saturation and remnant magnetization and coercivity of ~ 1.2 emu/g, 0.5 emu/g and 200 Oersted respectively, which makes it a suitable contender in advanced energy storage devices.
{"title":"Hematite Decorated MWCNT Nanohybrids: A Facile Synthesis","authors":"S. S. Sajid Hussain, S. F. H. A. S. U. A. S F Hasany and Syed Usman Ali","doi":"10.52568/001121/jcsp/44.05.2022","DOIUrl":"https://doi.org/10.52568/001121/jcsp/44.05.2022","url":null,"abstract":"Hybrid nanomaterials with different sizes, shapes, compositions, and morphology have gained importance for numerous physicochemical, electrical and magnetic acumens. Multi-Walled Carbon nanotubes (MWCNTs) can be decorated with various metals to produce nanohybrids to attain desired features for leading high-tech applications. The presented research work comprises a cost- effective wet chemical method to fabricate Hematite based (α-Fe2O3- MWCNTs) nanohybrids. Physicochemical characteristics were studied by XRD, FTIR, SEM and VSM, and EDX, respectively. Results showed well-decorated hematite nanocrystals (size ~ 26nm) on the surface of MWCNTs. Magnetic behaviors exhibited a ferromagnetic material with saturation and remnant magnetization and coercivity of ~ 1.2 emu/g, 0.5 emu/g and 200 Oersted respectively, which makes it a suitable contender in advanced energy storage devices.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70707239","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}
Pub Date : 2022-01-01DOI: 10.52568/001182/jcsp/44.06.2022
Youluan Lu Youluan Lu, Xinwei Mu Xinwei Mu, Yaopeng Liu Yaopeng Liu, Zhen Shi Zhen Shi, Yin Zheng Yin Zheng, Wensheng Huang and Fangming Lou Wensheng Huang and Fangming Lou
In order to well use waste biomass and realise the quantitative analysis of luteolin, the sorghum straw from the old broom was used to prepare biomass carbon material (CMS-PCSS) through the molten salt carbonization. Then the CMS-PCSS was characterised by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) Raman spectra (Raman), and N2 sorption analysis. In addition, the electrochemical performance of the CMS-PCSS based sensors was examined by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). Under the first-rank experimental conditions, the electrochemical sensor established with this material performed well in the quantitative analysis and actual sample detection of luteolin, the detection range of luteolin was 0.05~10.0 μmol/L, and the actual achievable minimum detection limit was 0.019 μmol/L.
{"title":"Electrochemical Sensing of Luteolin from Straw Pyrolysis Carbon Prepared by Molten Salt Carbonization","authors":"Youluan Lu Youluan Lu, Xinwei Mu Xinwei Mu, Yaopeng Liu Yaopeng Liu, Zhen Shi Zhen Shi, Yin Zheng Yin Zheng, Wensheng Huang and Fangming Lou Wensheng Huang and Fangming Lou","doi":"10.52568/001182/jcsp/44.06.2022","DOIUrl":"https://doi.org/10.52568/001182/jcsp/44.06.2022","url":null,"abstract":"In order to well use waste biomass and realise the quantitative analysis of luteolin, the sorghum straw from the old broom was used to prepare biomass carbon material (CMS-PCSS) through the molten salt carbonization. Then the CMS-PCSS was characterised by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) Raman spectra (Raman), and N2 sorption analysis. In addition, the electrochemical performance of the CMS-PCSS based sensors was examined by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). Under the first-rank experimental conditions, the electrochemical sensor established with this material performed well in the quantitative analysis and actual sample detection of luteolin, the detection range of luteolin was 0.05~10.0 μmol/L, and the actual achievable minimum detection limit was 0.019 μmol/L.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70707590","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}
Pub Date : 2022-01-01DOI: 10.52568/001122/jcsp/44.05.2022
Luwei Tian Luwei Tian, Ming Guo Ming Guo, Xingtao Xu and Linfang Shi Xingtao Xu and Linfang Shi
As a common heavy metal, Pb (II) can react with biological macromolecules in the human body and have an impact on human health, but there are few studies on its synergistic interaction with a variety of proteins of different abundance. Pb (II) binding with a synthetic model protein system (bovine serum albumin (BSA) and bovine lactoferrin (BLF)) was characterized using fluorescence spectroscopy and was described using a quantitative model. Pb (II) quenched the fluorescence of BSA-BLF, indicating that Pb (II) interacted with the BSA-BLF protein system, and was affected by single protein, mixed proteins and the solution microenvironment. A model was constructed and an indicator of the interaction (FPI) was derived to quantify the interactions. There was a high correlation (R2=0.9182, pandlt;0.001) between the FPI and the Pb (II) concentration when the interaction models were analyzed with a Taylor function. The effects of the solvent microenvironment on BSA, BLF and BSA-BLF were evaluated using the IOM (overall microenvironmental influence factor). BLF was more easily affected by the solution microenvironment with increasing concentrations than BSA, while BSA-BLF was less affected.
{"title":"Imaging Serum Proteome Behavior in Process of Lead Transportation in Vivo: A Fluorescence Spectroscopic Analysis Insight","authors":"Luwei Tian Luwei Tian, Ming Guo Ming Guo, Xingtao Xu and Linfang Shi Xingtao Xu and Linfang Shi","doi":"10.52568/001122/jcsp/44.05.2022","DOIUrl":"https://doi.org/10.52568/001122/jcsp/44.05.2022","url":null,"abstract":"As a common heavy metal, Pb (II) can react with biological macromolecules in the human body and have an impact on human health, but there are few studies on its synergistic interaction with a variety of proteins of different abundance. Pb (II) binding with a synthetic model protein system (bovine serum albumin (BSA) and bovine lactoferrin (BLF)) was characterized using fluorescence spectroscopy and was described using a quantitative model. Pb (II) quenched the fluorescence of BSA-BLF, indicating that Pb (II) interacted with the BSA-BLF protein system, and was affected by single protein, mixed proteins and the solution microenvironment. A model was constructed and an indicator of the interaction (FPI) was derived to quantify the interactions. There was a high correlation (R2=0.9182, pandlt;0.001) between the FPI and the Pb (II) concentration when the interaction models were analyzed with a Taylor function. The effects of the solvent microenvironment on BSA, BLF and BSA-BLF were evaluated using the IOM (overall microenvironmental influence factor). BLF was more easily affected by the solution microenvironment with increasing concentrations than BSA, while BSA-BLF was less affected.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70707407","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}
Pub Date : 2022-01-01DOI: 10.52568/000981/jcsp/44.01.2022
Xiuyong Yu Xiuyong Yu, Hao Liu and Shiduo Li Hao Liu and Shiduo Li
Platinum-like molybdenum carbide (Mo2C) coupled with carbon-based supports is an effective strategy to promote the performance of catalysis and energy storage. However, inevitable aggregation of Mo2C impede the achievement of high catalytic performance for hydrogen evolution reaction (HER). Herein, a vanadium-doped Mo2C nanoparticles anchorage on graphene (V-Mo2C) was developed. The V atoms can effectively regulate the electronic structure of Mo2C, improving the intrinsic activity and kinetics of electrocatalyst for HER. The ultrafine Mo2C nanoparticles with the size of about 2 nm are firmly anchorage on conductivity graphene substrate, which increases the number of active sites and contributes the high HER activity. As results, the V-Mo2C nanocomposite exhibits a remarkable HER performance with overpotentials of 284 mV at -10 mAand#183;cm-2 and corresponding Tafel slopes of 65.0 dec-1 in 1M KOH. Notable, the V-Mo2C hybrid is observed long term stability for andgt; 24 h, demonstrating that the structure of Mo2C nanoparticles anchored on graphene can significantly improve the performance for HER as well as stability. This work provides a reference for the synthesis of high-performance ultrafine transition metal carbide for HER or other catalytic system.
{"title":"Vanadium-Regulated Ultrafine Molybdenum Carbide Nanoparticles by Anchorage on Graphene for Highly Active Hydrogen Evolution Reaction","authors":"Xiuyong Yu Xiuyong Yu, Hao Liu and Shiduo Li Hao Liu and Shiduo Li","doi":"10.52568/000981/jcsp/44.01.2022","DOIUrl":"https://doi.org/10.52568/000981/jcsp/44.01.2022","url":null,"abstract":"Platinum-like molybdenum carbide (Mo2C) coupled with carbon-based supports is an effective strategy to promote the performance of catalysis and energy storage. However, inevitable aggregation of Mo2C impede the achievement of high catalytic performance for hydrogen evolution reaction (HER). Herein, a vanadium-doped Mo2C nanoparticles anchorage on graphene (V-Mo2C) was developed. The V atoms can effectively regulate the electronic structure of Mo2C, improving the intrinsic activity and kinetics of electrocatalyst for HER. The ultrafine Mo2C nanoparticles with the size of about 2 nm are firmly anchorage on conductivity graphene substrate, which increases the number of active sites and contributes the high HER activity. As results, the V-Mo2C nanocomposite exhibits a remarkable HER performance with overpotentials of 284 mV at -10 mAand#183;cm-2 and corresponding Tafel slopes of 65.0 dec-1 in 1M KOH. Notable, the V-Mo2C hybrid is observed long term stability for andgt; 24 h, demonstrating that the structure of Mo2C nanoparticles anchored on graphene can significantly improve the performance for HER as well as stability. This work provides a reference for the synthesis of high-performance ultrafine transition metal carbide for HER or other catalytic system.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706459","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}
Pub Date : 2022-01-01DOI: 10.52568/000980/jcsp/44.01.2022
Yasemin Yildiz Yasemin Yildiz
Many separation processes are used to capture of hydrogen sulfide. Which of these techniques to choose depends on the location of the gas. Conventional gas cleaning processes have significant disadvantages such as considerable energy, maintenance costs and environmental concerns. Compared to conventional processes, membranes are light and compact and have a lower environmental impact, higher energy efficiency and ease of use. Although some rubber and glassy polymer membranes have been used for gas separation, there is an opportunity to reach a much larger potential market with newer and better membranes. In this study, H2S was captured with copper chloride in the polymeric membrane. Copper chloride was added to the polymeric membrane by mechanical mixing. The present study had two main objectives. First, a water-based membrane was prepared, and its characterization was done. Second, a pilot experimental apparatus was built for hydrogen desulfurization. Next, the capture of hydrogen sulfide with the membrane was tested in a pilot experimental apparatus. This study highlights that a new model membrane can utilize the hydrogen sulfur capture performance. FeS, iron (II) sulfide, and dilute HCl were used to obtain hydrogen sulfide in this study. The property of the membrane to hold H2S gas was examined with the amount of gas released by passing the H2S gas through the membrane. SEM-EDS analysis confirmed the accumulation of copper and H2S on the membrane surface. Also, no clogging and contamination problems were observed. The membrane retains its hydrophilic property even after use. The results obtained in the experimental study showed that the newly produced membrane captured 100 percent of H2S. The main object in this study, a new approach to H2S capture. The new copper loaden membrane tested in this study has successfully removed H2S and is expected to be a promising alternative to conventional desulphurization processes.
{"title":"A New Approach to Hydrogen Sulfide Removal","authors":"Yasemin Yildiz Yasemin Yildiz","doi":"10.52568/000980/jcsp/44.01.2022","DOIUrl":"https://doi.org/10.52568/000980/jcsp/44.01.2022","url":null,"abstract":"Many separation processes are used to capture of hydrogen sulfide. Which of these techniques to choose depends on the location of the gas. Conventional gas cleaning processes have significant disadvantages such as considerable energy, maintenance costs and environmental concerns. Compared to conventional processes, membranes are light and compact and have a lower environmental impact, higher energy efficiency and ease of use. Although some rubber and glassy polymer membranes have been used for gas separation, there is an opportunity to reach a much larger potential market with newer and better membranes. In this study, H2S was captured with copper chloride in the polymeric membrane. Copper chloride was added to the polymeric membrane by mechanical mixing. The present study had two main objectives. First, a water-based membrane was prepared, and its characterization was done. Second, a pilot experimental apparatus was built for hydrogen desulfurization. Next, the capture of hydrogen sulfide with the membrane was tested in a pilot experimental apparatus. This study highlights that a new model membrane can utilize the hydrogen sulfur capture performance. FeS, iron (II) sulfide, and dilute HCl were used to obtain hydrogen sulfide in this study. The property of the membrane to hold H2S gas was examined with the amount of gas released by passing the H2S gas through the membrane. SEM-EDS analysis confirmed the accumulation of copper and H2S on the membrane surface. Also, no clogging and contamination problems were observed. The membrane retains its hydrophilic property even after use. The results obtained in the experimental study showed that the newly produced membrane captured 100 percent of H2S. The main object in this study, a new approach to H2S capture. The new copper loaden membrane tested in this study has successfully removed H2S and is expected to be a promising alternative to conventional desulphurization processes.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706561","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}
Pub Date : 2022-01-01DOI: 10.52568/001000/jcsp/44.02.2022
Nazmiye Sabanc Nazmiye Sabanc
The main aim of this study is to uncover the main pharmacophoric features of a series of indole glyoxamide derivatives which are known as HIV-1 attachment inhibitors and to estimate the biological activity to develop a 4D-QSAR model by using the EC-GA method. Conformational analysis and quantum mechanical calculations were accomplished by using the Hartree Fock method with the 3-21G basis set. Based on the data produced from the quantum chemical calculations, the electron conformational matrices of congruity (ECMC)s, as the 3D- arrangement of electronic and geometric properties, were generated by the EMRE program. An individual ECMC was formed for each conformer of each indole glyoxamide derivative in the data set. Conformational flexibility was considered for each compound. Totally 1510 ECMCs were produced by EMRE software to be used in the comparison process. By analogizing the ECMCs in a predetermined tolerance value, the subset of common features matching all active compounds but not matching the low activity compounds was determined. The final ECSA was obtained as a set of nine atoms including predominantly hydrogen bond donors, hydrogen bond acceptors and lipophilic units. Key elements are mainly placed in indole nitrogen, carbonyl groups and piperazine ring. In the bioactivity prediction and variable selection, the genetic algorithm and non-linear least square techniques were employed. The obtained models were internally and externally validated by the leave-one-out cross-validation method. The resulting 4D QSAR EC-GA models were compared with the other methods and the best model with the high prediction ability was defined according to R2training=, R2test =0.8 cross-validatedated q2 =0.860, q2ext1 = 0.850 and q2ext1 = 0.850 values. Attained EC-GA model provides insight into the vital interaction between indole glyoxamide derivatives and the target protein. EC-GA models can be utilized as an effective and confidential tool in the design of more potent indole glyoxamide derivatives.
{"title":"Pharmacophore Modelling and 4D QSAR Analysis of Some Indole Glyoxamide Derivatives as HIV-1 Binding Inhibitors","authors":"Nazmiye Sabanc Nazmiye Sabanc","doi":"10.52568/001000/jcsp/44.02.2022","DOIUrl":"https://doi.org/10.52568/001000/jcsp/44.02.2022","url":null,"abstract":"The main aim of this study is to uncover the main pharmacophoric features of a series of indole glyoxamide derivatives which are known as HIV-1 attachment inhibitors and to estimate the biological activity to develop a 4D-QSAR model by using the EC-GA method. Conformational analysis and quantum mechanical calculations were accomplished by using the Hartree Fock method with the 3-21G basis set. Based on the data produced from the quantum chemical calculations, the electron conformational matrices of congruity (ECMC)s, as the 3D- arrangement of electronic and geometric properties, were generated by the EMRE program. An individual ECMC was formed for each conformer of each indole glyoxamide derivative in the data set. Conformational flexibility was considered for each compound. Totally 1510 ECMCs were produced by EMRE software to be used in the comparison process. By analogizing the ECMCs in a predetermined tolerance value, the subset of common features matching all active compounds but not matching the low activity compounds was determined. The final ECSA was obtained as a set of nine atoms including predominantly hydrogen bond donors, hydrogen bond acceptors and lipophilic units. Key elements are mainly placed in indole nitrogen, carbonyl groups and piperazine ring. In the bioactivity prediction and variable selection, the genetic algorithm and non-linear least square techniques were employed. The obtained models were internally and externally validated by the leave-one-out cross-validation method. The resulting 4D QSAR EC-GA models were compared with the other methods and the best model with the high prediction ability was defined according to R2training=, R2test =0.8 cross-validatedated q2 =0.860, q2ext1 = 0.850 and q2ext1 = 0.850 values. Attained EC-GA model provides insight into the vital interaction between indole glyoxamide derivatives and the target protein. EC-GA models can be utilized as an effective and confidential tool in the design of more potent indole glyoxamide derivatives.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"30 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706754","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}
Pub Date : 2022-01-01DOI: 10.52568/001072/jcsp/44.04.2022
Rafiq Ahmed Rafiq Ahmed, Asim Mushtaq Asim Mushtaq, Saud Hashmi Saud Hashmi, Sindhia Abbasi and Zaeem Uddin Ali Sindhia Abbasi and Zaeem Uddin Ali
Plastic manufacturing industry is the fastest growing industry as the demand for plastic products is exponentially growing worldwide. Poly (methyl methacrylate) (PMMA), also known as acrylic glass, is a transparent and rigid thermoplastic. PMMA is highly resistant to UV light. Weathering has an excellent light transmission and unlimited coloring options compared to other transparent plastic and has been used in wide applications such as architecture, automotive and transportation, lighting (LED lights), medical and healthcare, and furniture. Injection molding is the widely used plastic manufacturing process to produce plastic products for various applications. The quality of the plastic products depends on the injection molding parameters, viz. melting temperature, injection speed, and pressure, holding and cooling time, and holding pressure. Therefore, it is important to control injection molding parameters to reduce injection molding defects or parts. Hence, the main objective of this research is to optimize the injection molding parameters, including the amount of mold releasing agent, to avoid the crazing marks in PMMA which is a long-standing problem in the production of PMMA products or parts such as motorbike headlight lenses. Three different holding pressures (65, 75, and 85 kg/cm2) were varied against three different injection pressures (70, 80, and 90 kg/cm2). The injection speed (60 %), cooling time (4 s), and barrel zones temperature (185-205: 185-205: 190-210: 195-215) were kept constant not to disturb the production cycle, a constraint from the production industry. The minimum criteria required for the motorbike headlight lens selection was based on the LUX intensity test, density, and crazing demanded by the Japanese standard throughout this research. The optimized injection molding parameters and amount of mold releasing agent (Nabakem mold release R2) were 70 kg/cm2 (injection pressure), 65 kg/cm2 (holding pressure), and 1.18 g, respectively. The motorbike headlight lens produced with optimized injection molding parameters showed no crazing. In addition to the desired LUX intensity, density, and no crazing criteria, the motorbike headlight lens also showed improved impact properties and no substantial changes in mechanical properties when compared to virgin PMMA or literature. Hence, it is concluded that the optimized injection molding parameters (thermo-mechanical history) did not much affect the molecular weight and morphology of the PMMA.
{"title":"To Explore the Effect of Injection Molding Processing Parameters on Crazing in Acrylic Polymers","authors":"Rafiq Ahmed Rafiq Ahmed, Asim Mushtaq Asim Mushtaq, Saud Hashmi Saud Hashmi, Sindhia Abbasi and Zaeem Uddin Ali Sindhia Abbasi and Zaeem Uddin Ali","doi":"10.52568/001072/jcsp/44.04.2022","DOIUrl":"https://doi.org/10.52568/001072/jcsp/44.04.2022","url":null,"abstract":"Plastic manufacturing industry is the fastest growing industry as the demand for plastic products is exponentially growing worldwide. Poly (methyl methacrylate) (PMMA), also known as acrylic glass, is a transparent and rigid thermoplastic. PMMA is highly resistant to UV light. Weathering has an excellent light transmission and unlimited coloring options compared to other transparent plastic and has been used in wide applications such as architecture, automotive and transportation, lighting (LED lights), medical and healthcare, and furniture. Injection molding is the widely used plastic manufacturing process to produce plastic products for various applications. The quality of the plastic products depends on the injection molding parameters, viz. melting temperature, injection speed, and pressure, holding and cooling time, and holding pressure. Therefore, it is important to control injection molding parameters to reduce injection molding defects or parts. Hence, the main objective of this research is to optimize the injection molding parameters, including the amount of mold releasing agent, to avoid the crazing marks in PMMA which is a long-standing problem in the production of PMMA products or parts such as motorbike headlight lenses. Three different holding pressures (65, 75, and 85 kg/cm2) were varied against three different injection pressures (70, 80, and 90 kg/cm2). The injection speed (60 %), cooling time (4 s), and barrel zones temperature (185-205: 185-205: 190-210: 195-215) were kept constant not to disturb the production cycle, a constraint from the production industry. The minimum criteria required for the motorbike headlight lens selection was based on the LUX intensity test, density, and crazing demanded by the Japanese standard throughout this research. The optimized injection molding parameters and amount of mold releasing agent (Nabakem mold release R2) were 70 kg/cm2 (injection pressure), 65 kg/cm2 (holding pressure), and 1.18 g, respectively. The motorbike headlight lens produced with optimized injection molding parameters showed no crazing. In addition to the desired LUX intensity, density, and no crazing criteria, the motorbike headlight lens also showed improved impact properties and no substantial changes in mechanical properties when compared to virgin PMMA or literature. Hence, it is concluded that the optimized injection molding parameters (thermo-mechanical history) did not much affect the molecular weight and morphology of the PMMA.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706762","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}
Pub Date : 2022-01-01DOI: 10.52568/000997/jcsp/44.02.2022
Fatma Gen Fatma Gen, Hanan Bsehen and Fatma Kandemirli Hanan Bsehen and Fatma Kandemirli
Control of spontaneous and postoperative bleeding is of particular concern to surgeons, anesthetists, hematologists, and the patient. Mainly carbazochrome(2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-hydrazinecarboxamide,CBZ), adrenochrome derivative, currently used as hemostatic drugs. With Density Functional Theory (DFT), at B3LYP level with 6–311G(d,p), 6–311+G(d,p), 6–311++G(d,p), 6–311++G(2d,2p), 6-311++G(3df,3pd) basis sets. Molecular structure of carbazochrome (C10H12N4O3) in the basic state in gas phase and solvent (ethanol, N, N-dimethyl form amide, N, N-dimethyl sulfoxide, water ) phases, energy Parameters such as the lowest empty molecular orbital (ELUMO), the highest energy filled molecular orbital (EHOMO), the energy difference between ELUMO and EHOMO, hardness, softness, electrophilicity index, chemical potential, electrofugality and nucleofugality were calculated and its effect on carbazochrome molecule has been investigated. In this study, the stabilization energy and hybridization of carbazochrome optimized by using DFT with B3LYP/6-311G(d, p) level in gas phase solvent phase, using natural bond orbital theory as integrated with NBO 3.1 were studied. Quantum mechanical calculations by using time-dependent DFT at B3LYP level 6–311G(d,p), 6–311+G(d,p), 6–311++G(d,p), 6–311++G(2d,2p), 6-311++G(3df,3pd) basis sets were performed to obtain some valuable information about the UV spectrum of the carbazochrome molecule in gas and solvent medium (ethanol, N, N-dimethylformamide, N, N-dimethylsulfoxide, water) and compared with experimental values. Based on Gaussianand#39;s output data, on the basis of vibration analysis and statistical thermodynamics, standard thermodynamicfunctions of the carbazochrome molecule at different temperatures (200oC-1000oC): thermodynamic properties such as heat capacity entropy, enthalpy, Gibbs free energy were calculated and the effect of base sets and solvent on these properties was investigated.
{"title":"Quantum Chemical Studies of Carbazochrome Molecule","authors":"Fatma Gen Fatma Gen, Hanan Bsehen and Fatma Kandemirli Hanan Bsehen and Fatma Kandemirli","doi":"10.52568/000997/jcsp/44.02.2022","DOIUrl":"https://doi.org/10.52568/000997/jcsp/44.02.2022","url":null,"abstract":"Control of spontaneous and postoperative bleeding is of particular concern to surgeons, anesthetists, hematologists, and the patient. Mainly carbazochrome(2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-hydrazinecarboxamide,CBZ), adrenochrome derivative, currently used as hemostatic drugs. With Density Functional Theory (DFT), at B3LYP level with 6–311G(d,p), 6–311+G(d,p), 6–311++G(d,p), 6–311++G(2d,2p), 6-311++G(3df,3pd) basis sets. Molecular structure of carbazochrome (C10H12N4O3) in the basic state in gas phase and solvent (ethanol, N, N-dimethyl form amide, N, N-dimethyl sulfoxide, water ) phases, energy Parameters such as the lowest empty molecular orbital (ELUMO), the highest energy filled molecular orbital (EHOMO), the energy difference between ELUMO and EHOMO, hardness, softness, electrophilicity index, chemical potential, electrofugality and nucleofugality were calculated and its effect on carbazochrome molecule has been investigated. In this study, the stabilization energy and hybridization of carbazochrome optimized by using DFT with B3LYP/6-311G(d, p) level in gas phase solvent phase, using natural bond orbital theory as integrated with NBO 3.1 were studied. Quantum mechanical calculations by using time-dependent DFT at B3LYP level 6–311G(d,p), 6–311+G(d,p), 6–311++G(d,p), 6–311++G(2d,2p), 6-311++G(3df,3pd) basis sets were performed to obtain some valuable information about the UV spectrum of the carbazochrome molecule in gas and solvent medium (ethanol, N, N-dimethylformamide, N, N-dimethylsulfoxide, water) and compared with experimental values. Based on Gaussianand#39;s output data, on the basis of vibration analysis and statistical thermodynamics, standard thermodynamicfunctions of the carbazochrome molecule at different temperatures (200oC-1000oC): thermodynamic properties such as heat capacity entropy, enthalpy, Gibbs free energy were calculated and the effect of base sets and solvent on these properties was investigated.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706890","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}
Pub Date : 2022-01-01DOI: 10.52568/001077/jcsp/44.04.2022
Atya Hassan Atya Hassan, Sana Gul Sana Gul, Taswar Ali Chandio and Muhammad Ali Minhas Taswar Ali Chandio and Muhammad Ali Minhas
L-Histidine regulates body function and involve in the synthesis of hemoglobin, repairing of tissues and strengthens of immune system. In this study, Cyclic Voltammetry (CV) is used with 0.1 M Potassium Chloride as a supporting electrolyte to determine the accurate metal ligand ratio between Cu+2 and L-Histidine. In CV potential window is set between +0.6 to -0.4V to record theVoltammogram. Voltammograms were recorded by varying scan rate from 50mV/s to 300mV/s. Cyclic Voltammetry is used to analyzed the interfacial performance of the complex and repeated CyclicVoltammograms (07 cycles) were recorded at Glassy Carbon Electrode (GCE), that shows no change in peak current intensity of both anodic and cathodic peak. Further, neither pre nor any post peak was observed. These interpretation express that reactant and product are not involve in the adsorption-desorption process at the surface of Glassy Carbon Electrode (GCE). These remarks suggest that it is diffusion controlled process in the above mentioned system. The interaction of Cu+2 and L-Histidine were not reported before through Cyclic Voltammetry. Furthermore, in this study structure of Cu+2 vs. L-Histidine complex is investigated from a theoretical perspective. Optimization of Cu+2 vs. L-Histidine complex was carried out by DFT method and result verifies that stable structure of Cu+2 vs. L-Histidine complex exist as square planar structure in 1:2 ratio respectively. The computed structure has correlation with experimental results and Voltammogram of 1:2 ratio complex of Cu+2 vs. L-Histidine suggested that it exist in Square planar geometry.
l -组氨酸调节机体功能，参与血红蛋白的合成、组织的修复和免疫系统的增强。本研究采用循环伏安法(CV)，以0.1 M氯化钾作为支撑电解质，精确测定Cu+2与l -组氨酸之间的金属配体比例。在CV电位窗口设置在+0.6到-0.4V之间，记录伏安图。扫描速率从50mV/s到300mV/s，记录伏安图。用循环伏安法分析了复合材料的界面性能，并在玻碳电极(GCE)上记录了07个循环的循环伏安图，结果表明阳极峰和阴极峰的峰值电流强度没有变化。此外，没有观察到任何峰前或峰后。这些解释表明，在玻碳电极(GCE)表面，反应物和生成物不参与吸附-解吸过程。说明该系统为扩散控制过程。Cu+2与l -组氨酸的相互作用在循环伏安法中尚未见报道。此外，本研究还从理论角度研究了Cu+2与l -组氨酸络合物的结构。采用DFT方法对Cu+2与l -组氨酸配合物进行了优化，结果表明Cu+2与l -组氨酸配合物分别以1:2的比例呈方形平面结构稳定存在。计算得到的结构与实验结果有一定的相关性，Cu+2与l -组氨酸的1:2比例配合物的伏安图表明其存在于正方形平面几何结构中。
{"title":"Electrochemical and Computational Study of Copper Histidine Complex via Cyclic Voltammetry","authors":"Atya Hassan Atya Hassan, Sana Gul Sana Gul, Taswar Ali Chandio and Muhammad Ali Minhas Taswar Ali Chandio and Muhammad Ali Minhas","doi":"10.52568/001077/jcsp/44.04.2022","DOIUrl":"https://doi.org/10.52568/001077/jcsp/44.04.2022","url":null,"abstract":"L-Histidine regulates body function and involve in the synthesis of hemoglobin, repairing of tissues and strengthens of immune system. In this study, Cyclic Voltammetry (CV) is used with 0.1 M Potassium Chloride as a supporting electrolyte to determine the accurate metal ligand ratio between Cu+2 and L-Histidine. In CV potential window is set between +0.6 to -0.4V to record theVoltammogram. Voltammograms were recorded by varying scan rate from 50mV/s to 300mV/s. Cyclic Voltammetry is used to analyzed the interfacial performance of the complex and repeated CyclicVoltammograms (07 cycles) were recorded at Glassy Carbon Electrode (GCE), that shows no change in peak current intensity of both anodic and cathodic peak. Further, neither pre nor any post peak was observed. These interpretation express that reactant and product are not involve in the adsorption-desorption process at the surface of Glassy Carbon Electrode (GCE). These remarks suggest that it is diffusion controlled process in the above mentioned system. The interaction of Cu+2 and L-Histidine were not reported before through Cyclic Voltammetry. Furthermore, in this study structure of Cu+2 vs. L-Histidine complex is investigated from a theoretical perspective. Optimization of Cu+2 vs. L-Histidine complex was carried out by DFT method and result verifies that stable structure of Cu+2 vs. L-Histidine complex exist as square planar structure in 1:2 ratio respectively. The computed structure has correlation with experimental results and Voltammogram of 1:2 ratio complex of Cu+2 vs. L-Histidine suggested that it exist in Square planar geometry.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70707391","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}
Pub Date : 2022-01-01DOI: 10.52568/001126/jcsp/44.05.2022
Hassan Imran Afridi Hassan Imran Afridi, Murk Bhatti Murk Bhatti, Farah Naz Talpur Farah Naz Talpur, Tasneem Gul Kazi Tasneem Gul Kazi, Jameel Ahmed Baig Jameel Ahmed Baig, Ghulam Qadir Chanihoon and Almas Rahoojo Ghulam Qadir Chanihoon and Almas Rahoojo
Cosmetics have been a part of routine body care not only for the upper classes, but also for the middle and lower classes, since the dawn of civilization. Lightening ingredients, which were previously only used under dermatological supervision, are increasingly being introduced into cosmetic formulations as the publicand#39;s interest in skin whitening grows. Contamination of cosmetics with heavy metals is a significant concern. Cosmetics containing heavy metals pose a major risk to human health. Heavy metal toxicity in humans has been linked to long-term or high-level exposure to toxins found in the atmosphere, such as air, water, food, and a variety of consumer goods such as cosmetics and toiletries. In the present study, the association between cadmium exposure via cosmetic products (Lipstick (N= 15), Face powder (N= 13), Eye Liner (N= 11) and Eye shadow (N= 15)} and dermatitis cosmetic female patients (N= 252), residing in Hyderabad city, Sindh, Pakistan, was investigated. The matrices of biological (scalp hair, blood, serum and nails) of referents and dermatitis cosmetic female patients (Seborrhoeic dermatitis, Rosacea, Allergic contact dermatitis and Irritant contact dermatitis) and cosmetic samples were oxidized with the help of HNO3 (65%) and H2O2 (30%) mixture at the ratio of 2:1 with the aid of microwave oven. The oxidized biological and cosmetic samples were subjected to electrothermal atomic emission spectrophotometer after microwave-assisted acid digestion. The LOD and LOQ for Cd determination in digests samples were found to be 0.81 and 0.28 and#181;g/ L, respectively. The validity and accuracy of the methodology were checked using certified reference materials. The cosmetic products (Lipstick, Face powder, Eye Liner and Eye shadow) of different brands contain Cd, concentrations in the ranges of 1.63– 2.30 μg/g, 0.40 – 0.76 μg/g, 1.05 – 3.60 μg/g and 1.05 – 4.53 μg/g respectively. The outcome of this research significantly showed the higher level of Cadmium in biological specimen (blood and scalp hair) of different types of female dermatitis patients as compared to referent subjects (Pandlt;0.001). To ensure human safety and protection, continuous monitoring of cosmetic products, especially with regard to heavy metals adulteration, should be implemented.
{"title":"Cadmium Concentration in Different Brands of Cosmetic and their Effect on the Skin of Female Dermatitis Cosmetic Users","authors":"Hassan Imran Afridi Hassan Imran Afridi, Murk Bhatti Murk Bhatti, Farah Naz Talpur Farah Naz Talpur, Tasneem Gul Kazi Tasneem Gul Kazi, Jameel Ahmed Baig Jameel Ahmed Baig, Ghulam Qadir Chanihoon and Almas Rahoojo Ghulam Qadir Chanihoon and Almas Rahoojo","doi":"10.52568/001126/jcsp/44.05.2022","DOIUrl":"https://doi.org/10.52568/001126/jcsp/44.05.2022","url":null,"abstract":"Cosmetics have been a part of routine body care not only for the upper classes, but also for the middle and lower classes, since the dawn of civilization. Lightening ingredients, which were previously only used under dermatological supervision, are increasingly being introduced into cosmetic formulations as the publicand#39;s interest in skin whitening grows. Contamination of cosmetics with heavy metals is a significant concern. Cosmetics containing heavy metals pose a major risk to human health. Heavy metal toxicity in humans has been linked to long-term or high-level exposure to toxins found in the atmosphere, such as air, water, food, and a variety of consumer goods such as cosmetics and toiletries. In the present study, the association between cadmium exposure via cosmetic products (Lipstick (N= 15), Face powder (N= 13), Eye Liner (N= 11) and Eye shadow (N= 15)} and dermatitis cosmetic female patients (N= 252), residing in Hyderabad city, Sindh, Pakistan, was investigated. The matrices of biological (scalp hair, blood, serum and nails) of referents and dermatitis cosmetic female patients (Seborrhoeic dermatitis, Rosacea, Allergic contact dermatitis and Irritant contact dermatitis) and cosmetic samples were oxidized with the help of HNO3 (65%) and H2O2 (30%) mixture at the ratio of 2:1 with the aid of microwave oven. The oxidized biological and cosmetic samples were subjected to electrothermal atomic emission spectrophotometer after microwave-assisted acid digestion. The LOD and LOQ for Cd determination in digests samples were found to be 0.81 and 0.28 and#181;g/ L, respectively. The validity and accuracy of the methodology were checked using certified reference materials. The cosmetic products (Lipstick, Face powder, Eye Liner and Eye shadow) of different brands contain Cd, concentrations in the ranges of 1.63– 2.30 μg/g, 0.40 – 0.76 μg/g, 1.05 – 3.60 μg/g and 1.05 – 4.53 μg/g respectively. The outcome of this research significantly showed the higher level of Cadmium in biological specimen (blood and scalp hair) of different types of female dermatitis patients as compared to referent subjects (Pandlt;0.001). To ensure human safety and protection, continuous monitoring of cosmetic products, especially with regard to heavy metals adulteration, should be implemented.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70707725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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