检索结果-内蒙古大学图书馆

Preparation of reduced Graphene Oxide (rGO) assisted by microwave irradiation and hydrothermal for reduction methods

引用

IOP Conference Series: Materials science and Engineering 2018年第1期434卷

作者： S Setiadji B W Nuryadin H Ramadhan C D D Sundari T Sudiarti A Supriadin A L Ivansyah Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Department of Physics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. Cimincrang Cimenerang Panyileukan Bandung West Java 40292 Indonesia. Master Program in Computational Science Faculty of Mathematic and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia

Graphite is a natural carbon source that can be used for graphene synthesis because of its abundant availability and relatively low cost. In this research, Graphene Oxide (GO) and reduced Graphene Oxide (rGO) have been prepared through modified Hummers method that uses microwave irradiation and hydrothermal process as reduction methods. This research can be divided into two main steps, i.e. preparation of GO and preparation of rGO. The preparation of GO was done using modified Hummers method that refers to graphite powder oxidation for five days. Then, preparation of rGO was done using two methods, i.e. microwave irradiation for 8 minutes at 1,000 watts and hydrothermal process for 10 hours at 200°C. The characterization of the samples was observed by Fourier-Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Ultraviolet-Visible Spectroscopy (UV-Vis). XRD pattern of GO sample shows a peak at 2θ = 10.63°, rGO sample from hydrothermal process at 2θ = 25.94°, and rGO sample from microwave irradiation method at 2θ = 25.94° with low intensity and at 2θ = 10.63° that indicates the presence of GO. IR spectroscopy data shows an absorption peak of aromatic C=C at 1,573 cm-1 that indicates rGO formation. SEM images of GO illustrates a structure of stacked flakes. While the morphology of rGO has a structure of stacked flakes that is more transparent than GO. According to UV-Vis spectroscopy, GO and rGO of samples show absorption peak at λmax = 225 nm and λmax = 274 nm, respectively, which indicates π→π* transition of aromatic C=C bond. Based on the results of this study, the preparation of rGO using modified Hummers that combined with hydrothermal reduction method is more effective than microwave irradiation reduction method.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Synthesis of silicalite-1 zeolite using silica from elephant grass (Pennisetum purpureum)

引用

Journal of Physics: Conference Series 2019年第5期1402卷

作者： C D D Sundari S Setiadji A Andriani E Sumiyanto A L Ivansyah Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. Cimincrang Cimenerang Panyileukan Bandung West Java 40292 Indonesia Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia Master Program in Computational Science Faculty of Mathematic and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia Analytical Chemistry Research Group Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha No. 10 Bandung Indonesia

Silicalite-1 is a type of zeolite with no aluminum content and is hydrophobic. This zeolite can be synthesized from various types of silica. Elephant grass (Pennisetum purpureum) is one of the potential agricultural wastes that has a fairly high silica content that can be used for zeolite synthesis. In this study, silicalite-1 zeolite was synthesized using silica extracted from elephant grass and tetrapropylammonium bromide (TPABr) templates. Silica samples extracted from elephant grass have 71.91% amorphous SiO2 content. Silicalite-1 zeolite was synthesized with molar ratio of 1SiO2 : 0.527TPABr : 0.395Na2O : 98.45 H2O, using hyrothermal method at 180°C for 24 hours in a stainless steel-teflon lined autoclave. The resulting silicalite-1 samples were confirmed by X-Ray Diffraction (XRD) and showed 2θ which was typical for silicalite-1 i.e. 8.02°, 8.93°, 23.09°, and 23.98°. The results of Scanning Electron Microscopy (SEM) show that silicalite-1 zeolite has hexagonal crystals with 43.36 µm size as a result of the calculation using the Schrerrer method.

关键词：

来源：评论

学校读者我要写书评

暂无评论

CO2 adsorption on graphene supported Ni catalysts

引用

Journal of Physics: Conference Series 2021年第1期1949卷 012003-012003页

作者： F Muttaqien N A P Namari S A Wella T D K Wungu Suprijadi Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha 10 Bandung 40132 Indonesia Instrumentation and Computation Research Group Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha 10 Bandung 40132 Indonesia Research Center for Nanosciences and Nanotechnology Institut Teknologi Bandung Jalan Ganesha 10 Bandung 40132 Indonesia Nuclear Physics and Biophysics Research Group Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha 10 Bandung 40132 Indonesia

We perform density functional theory (DFT) study of CO 2 adsorption on graphene supported Ni catalyst. We implement ordinary PBE functional as well as van der Waals density functional (vdW-DF) to accommodate weakly interaction between CO 2 and graphene. Based on vdW-DF calculations, we obtained that CO 2 is physisorbed on pristine graphene, in contradiction with PBE results. The adsorption energy further increases when we introduce single Ni adatom and small Ni cluster on graphene. The adsorbed CO 2 bond angle and bond length on graphene with single Ni adatom and cluster are deformed from its gas phase condition, indicating that CO 2 is chemically adsorbed on the decorated graphene area. Our results provide useful insight into appropriate design of graphene supported metal catalysts.

关键词：

来源：评论

学校读者我要写书评

暂无评论

computational Study of Inclusion Complexes Between Omeprazole Enantiomer with Hydroxypropyl-β-Cyclodextrin

引用

Journal of Physics: Conference Series 2018年第1期1090卷

作者： S Setiadji C D D Sundari B W Nuryadin H Zayyinunnisya R Cahyandari A L Ivansyah Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Department of Physics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Department of Mathematics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia. Master Program in Computational Science Faculty of Mathematics and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia

computational study of inclusion complexes between R/S-omeprazole as Proton Pump Inhibitor (PPI) compound with hydroxypropyl-β-cyclodextrin in three of its dimeric structure configurations (head to head, head to tail and tail to tail) has been carried out. All calculations were performed using PM3 quantum semiempirical method. computational results showed that total binding energy (BE) of R-omeprazole complex is more exothermic than total binding energy of S-omeprazole complex. The calculated binding energy of R-omeprazole complex was -74.65 kcal/mol, while for S-omeprazole complex was -64.09 kcal/mol. This results indicate that R-omeprazole inclusion complex has higher stability compared to S-omeprazole inclusion complex. The value of ΔH, ΔS, and ΔG for R-omeprazole inclusion complex formation were -77.02 kcal/mol, -0.24 cal/mol.K and -2.62 kcal/mol respectively, while the value of ΔH, ΔS, and ΔG for S-omeprazole inclusion complex formation were -66.47 kcal/mol, -0.29 cal/mol.K and 19.29 kcal/mol respectively. These values indicate that the formation of inclusion complexes between R/S-omeprazole with hydroxypropyl-β-cyclodextrin is enthalpy driven process.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Ab Initio Study on Electronic Structure of Some Imidazole Derivatives and Its Correlation with Corrosion Inhibition Properties

引用

Journal of Physics: Conference Series 2018年第1期1090卷

作者： C D D Sundari S Setiadji B W Nuryadin R Syafia A F Huda A L Ivansyah Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia Department of Physics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia Department of Mathematics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java 40614 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia

Imidazole and some of its derivatives have been known as a good candidate for corrosion inhibition application. In this study, ab initio calculation was carried out for several imidazole derivatives i.e. 2-phenylimidazole[1,2-α]pyridine, 6-methyl-2-phenylimidazole[1,2-α]pyridine, 6-methyl-2-(4-metoxyplenylimidazole)[1,2-α]pyridine, and 6-methyl-2-(4-chlorophenylimidazole)[1,2α]pyridine, in order to investigate their electronic properties as well as its correlation with their corrosion inhibition properties. Calculations were performed using Firefly software package with RHF method and 6-31G(d,p) basis set. Based on calculation results and analysis, it was found that 6-methyl-2-(4-metoxyphenylimidazole) [1,2α]pyridine compound has better potential as corrosion inhibitor than the rest of the compounds due to its small HOMO-LUMO energy gap, low ionization potential, low electron affinity, low electronegativity, and low global hardness i.e. 10.184 eV, 7.199 eV, -2.985 eV, 2.107 eV and 5.092 eV respectively. This compound also has the highest global softness (0.098 eV), while the greatest value of the dipole moment was owned by 6-methyl-2-(4-chlorophenylimidazole)[1,2α]pyridine with value of 6.125 Debye due to the existence of Cl atom that has larger polarity than the other substituents.

关键词：

来源：评论

学校读者我要写书评

暂无评论

computational study of inclusion complex between Omeprazole enantiomer and β-Cyclodextrin: NBO and RDG analysis

引用

Journal of Physics: Conference Series 2019年第5期1402卷

作者： A L Ivansyah E S Nurhidayah C D D Sundari M A Martoprawiro B Buchari Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia Division of Analytical Chemistry Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. Cimincrang Cimenerang Panyileukan Bandung West Java 40292 Indonesia Division of Physical and Inorganic Chemistry Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung West Java 40132 Indonesia

In this study, it has been done NBO and RDG analysis of the R/S-Omeprazole and β-Cyclodextrin inclusion complexes by using density functional theory computational method, one-point calculation with the exchange-correlation functional of B3LYP and basis set of 6-31g (d). The results of the NBO analysis show that there are 7, 52, 5, and 44 of hydrogen bonds in the inclusion complex of β-Cyclodextrin and R-Omeprazole (1: 1), β-Cyclodextrin and R-Omeprazole (2: 1), β-Cyclodextrin and S-Omeprazole (1: 1), and β-Cyclodextrin and S-Omeprazole (2: 1), respectively. The results of the RDG analysis confirm that the R/S-Omeprazole inclusion complex with β-Cyclodextrin formed a Van der Waals interaction and also the effect of other than hydrogen bonds. However, the steric effect can be ignored because the amount is relatively small compared to hydrogen bonds and the Van der Waals interactions.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Correction: How Can Artificial Intelligence Make Medicine More Preemptive?

引用

Journal of medical Internet research 2020年第8期22卷 e23645页

作者： Usman Iqbal Leo Anthony Celi Yu-Chuan Jack Li Master Program in Global Health & Development PhD Program in Global Health & Health Security College of Public Health Taipei Medical University Taipei Taiwan. International Center for Health Information Technology Taipei Medical University Taipei Taiwan. Laboratory for Computational Physiology Massachusetts Institute of Technology Cambridge MA United States. Division of Pulmonary Critical Care and Sleep Medicine Beth Israel Deaconess Medical Center Boston MA United States. Department of Biostatistics Harvard TH Chan School of Public Health Harvard University Boston MA United States. Graduate Institute of Biomedical Informatics College of Medical Science and Technology Taipei Medical University Taipei Taiwan. Department of Dermatology Taipei Municipal Wan-Fang Hospital Taipei Taiwan. International Medical Informatics Association Geneva Switzerland.

[This corrects the article DOI: .].

关键词：

来源：评论

学校读者我要写书评

暂无评论

40. Genomic profiling of lung adenocarcinomas with increased MET copy numbers

引用

Cancer Genetics 2018年 226卷 51-51页

作者： Liu, Ching-Hua (Ruby) Chen, Hui Fang, Lianghua Hu, Peter C. Gu, Jun Zhao, Jin Abraham, Ronald Yao, Hui Singh, Rajesh R. Jeffrey Medeiros, L. Luthra, Rajyalakshimi Lu, Xinyan Department of Hematopathology University of Texas MD Anderson Cancer Center Houston TX United States Master of Science in Diagnostic Genetics Program School of Health Professions University of Texas MD Anderson Cancer Center Houston TX United States Department of Pathology Northwestern University Feinberg School of Medicine Chicago IL United States Department of Pathology University of Texas MD Anderson Cancer Center Houston TX United States Department of Oncology Jiangsu Hospital of Traditional Chinese Medicine Nanjing Jiangsu China Department of Clinical Laboratory Hunan Cancer Hospital and The Affiliated Cancer Hospital of Xiangya School of Medicine Central South University Shangsha Hunan China Department of Bioinformatics and Computational Biology University of Texas MD Anderson Cancer Center Houston TX United States

来源：评论

学校读者我要写书评

暂无评论

The Broad Institute-Six Years Later

引用

CHEMISTRY & BIOLOGY 2010年第4期17卷 311-312页

作者： McCarthy, Alice Main Text “In June 2003 the scientific and medical communities at MIT Harvard University and its affiliated hospitals and the Whitehead Institute banded together as collaborating partners to form the Eli and Edythe L. Broad Institute based in Cambridge MA. The Broad Institute established with initial funding from a $100 million philanthropic donation from the Los Angeles-based Broad family was primarily viewed as a marriage between the Whitehead Institute's Center for Genome Research (WICGR) and the Harvard Institute of Chemistry and Cell Biology (ICCB). Eli Broad founder and chairman of AIG SunAmerica Inc. explained “the purpose of the Broad Institute is to create a new type of research institute to build on the accomplishments of the human genome project and to move to clinical applications to both prevent and cure diseases.” Every Thursday morning we meet with perhaps 20 faculty members and 100 other researchers to discuss what we're all doing and should be doing next. -David Altschuler This paragraph was written five years ago when the Broad Institute was in its very earliest days as a life science research community (McCarthy 2005). Since that time “the Broad” as it's known has kept true to Eli Broad's vision having attracted a talented group of researchers faculty trainees and professional staff. This 1600 person research community known internally as “Broadies” includes faculty staff and students from throughout the MIT and Harvard biomedical research communities and beyond with collaborations spanning over a hundred private and public institutions in more than 40 countries worldwide. “What is special about the Broad is that we have people from Harvard MIT and the Harvard hospitals come together and work on problems of shared interest that could not be solved in their own individuals labs” explains David Altshuler M.D. Ph.D. Deputy Director and one of the Broad's six core faculty members. “These problems require expertise beyond any one principal investigator and in

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：