Role of Surface Phenolic-OH Groups in N-Rich Porous Organic Polymers for Enhancing the CO2 Uptake and CO2/N2 Selectivity: Experimental and Computational Studies

2018 ◽  
Vol 10 (28) ◽  
pp. 23813-23824 ◽  
Author(s):  
Sabuj Kanti Das ◽  
Piyali Bhanja ◽  
Sudipta K. Kundu ◽  
Saptarsi Mondal ◽  
Asim Bhaumik
Keyword(s):  
Co2 Uptake ◽  
Computational Studies ◽  
Organic Polymers ◽  
Porous Organic Polymers ◽  
Oh Groups ◽  
Phenolic Oh Groups

Hypercrosslinked porous organic polymers based on tetraphenylanthraquinone for CO2 uptake and high-performance supercapacitor

Polymer ◽  
2020 ◽  
Vol 205 ◽  
pp. 122857 ◽  
Author(s):  
Mohamed Gamal Mohamed ◽  
Xian Zhang ◽  
Tharwat Hassan Mansoure ◽  
Ahmed F.M. EL-Mahdy ◽  
Chih-Feng Huang ◽  
...  
Keyword(s):  
High Performance ◽  
Co2 Uptake ◽  
Organic Polymers ◽  
Porous Organic Polymers

scholarly journals Synthesis of Novel Heteroatom-Doped Porous-Organic Polymers as Environmentally Efficient Media for Carbon Dioxide Storage

2019 ◽  
Vol 9 (20) ◽  
pp. 4314 ◽  
Author(s):  
Satar ◽  
Ahmed ◽  
Yousif ◽  
Ahmed ◽  
Alotibi ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Surface Area ◽  
Carbon Dioxide Storage ◽  
Co2 Uptake ◽  
Area Network ◽  
Organic Polymers ◽  
High Carbon ◽  
Porous Organic Polymers ◽  
Carbon Dioxide Uptake ◽  
High Carbon Dioxide

The high carbon dioxide emission levels due to the increased consumption of fossil fuels has led to various environmental problems. Efficient strategies for the capture and storage of greenhouse gases, such as carbon dioxide are crucial in reducing their concentrations in the environment. Considering this, herein, three novel heteroatom-doped porous-organic polymers (POPs) containing phosphate units were synthesized in high yields from the coupling reactions of phosphate esters and 1,4-diaminobenzene (three mole equivalents) in boiling ethanol using a simple, efficient, and general procedure. The structures and physicochemical properties of the synthesized POPs were established using various techniques. Field emission scanning electron microscopy (FESEM) images showed that the surface morphologies of the synthesized POPs were similar to coral reefs. They had grooved networks, long range periodic macropores, amorphous surfaces, and a high surface area (SBET = 82.71–213.54 m2/g). Most importantly, they had considerable carbon dioxide storage capacity, particularly at high pressure. The carbon dioxide uptake at 323 K and 40 bar for one of the POPs was as high as 1.42 mmol/g (6.00 wt %). The high carbon dioxide uptake capacities of these materials were primarily governed by their geometries. The POP containing a meta-phosphate unit leads to the highest CO2 uptake since such geometry provides a highly distorted and extended surface area network compared to other POPs.

scholarly journals Elucidating the role of non-covalent interactions in unexpectedly high and selective CO2 uptake and catalytic conversion of porphyrin-based ionic organic polymers

2021 ◽  
Author(s):  
Sinem Tuncel Kostakoğlu ◽  
Yu. Chumakov ◽  
Yunus Zorlu ◽  
Ali Enis Sadak ◽  
Serpil Denizalti ◽  
...  
Keyword(s):  
Specific Surface ◽  
Catalytic Conversion ◽  
Co2 Uptake ◽  
Organic Polymers ◽  
Surface Areas ◽  
Non Covalent Interactions ◽  
Specific Surface Areas ◽  
Covalent Interactions

Here, we present the viologen-porphyrin based ionic covalent organic polymers (H2-ICOP and Zn-ICOP) with multiple CO2-philic sites. The specific surface areas of H2-ICOP and Zn-ICOP were found to be 9...

scholarly journals Increasing surface area and CO2 uptake of conjugated microporous polymers via a post-knitting method

2021 ◽  
Author(s):  
Yuchuan Liu ◽  
Shun Wang ◽  
Xianyu Meng ◽  
Yu Ye ◽  
Xiaowei Song ◽  
...  
Keyword(s):  
Surface Area ◽  
High Surface ◽  
High Surface Area ◽  
Large Surface Area ◽  
Co2 Uptake ◽  
Organic Polymers ◽  
Porous Organic Polymers ◽  
Microporous Polymers ◽  
And Storage ◽  
Conjugated Microporous Polymers

Synthesis of high-surface-area porous organic polymers (POPs) for CO2 capture and storage (CCS) has obtained much attentions from researchers. However, construction of POPs with large surface area still remains challenging...

Statistical Analysis of the Relationship Between Antioxidant Activity and the Structure of Flavonoid Compounds

2019 ◽  
Vol 70 (9) ◽  
pp. 3103-3107 ◽  
Author(s):  
Ioana Glevitzky ◽  
Gabriela Alina Dumitrel ◽  
Mirel Glevitzky ◽  
Bianca Pasca ◽  
Pavel Otrisal ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Antioxidant Activities ◽  
Basic Structure ◽  
Oh Groups ◽  
Flavonoid Compounds ◽  
Chi Squared ◽  
Potential Link ◽  
Van Der Waals Surface ◽  
The Relationship ◽  
Phenolic Oh Groups

Using different methods of statistics, this paper aims to highlight the potential link between the antioxidant activity of flavonoids and the corresponding molecular descriptors. By calculating the descriptors (van der Waals surface (A), molar volume (V), partition coefficient (LogP), refractivity (R), polarizability (a), forming heat (Hformation), hydration energy (Ehidr), the dipole moment (mt)), together with antioxidant activities (RSA) calculated or taken from the literature, number of phenolic -OH groups and the presence (2) or absence (1) of C2=C3 double bond) for 29 flavonoid compounds and by intercorrelation between the studied parameters, the link between the number of phenolic groups grafted to the basic structure of flavonoids and their antioxidant activity was confirmed. Simultaneously, by using the chi-squared test and the intercorrelations matrix, a satisfactorily correlation coefficient (r2=0.5678; r=0.7536) between the structure of the flavonoids and their activity was obtained, fact that confirms the correlation of the antioxidant activity with the number of -OH phenolic groups.

Isolation of Natural Compounds from Syzygium densiflorum Fruits and Exploring its Chemical Property, Therapeutic Role in Diabetic Management

2020 ◽  
Vol 10 (2) ◽  
pp. 168-176
Author(s):  
Krishnasamy Gopinath ◽  
Nagarajan Subbiah ◽  
Muthusamy Karthikeyan
Keyword(s):  
Density Functional ◽  
Chemical Reactivity ◽  
Natural Compounds ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Computational Studies ◽  
Therapeutic Role ◽  
Relationship Analysis ◽  
Structure Activity

Background: Syzygium densiflorum Wall. ex Wight & Arn (Myrtaceae) has been traditionally used by the local tribes of the Nilgiris, Tamil Nadu, India, for the treatment of diabetes. Objective: This study aimed to isolate the major phytoconstituents from the S. densiflorum fruits and to perform computational studies for chemical reactivity and biological activity of the isolated compound. Materials and Methods: Two different compounds were isolated from ethanolic extract of S. densiflorum fruits and purified using HPLC. The structures of the compounds were elucidated on the basis of their 1H NMR, 13C NMR, 1H-1H COSY, HMBC, HRESIMS, and FT-IR data. Further, the chemical reactivity of the compounds was analyzed by density functional theory calculations and its therapeutic role in diabetic management was examined by comparing the structure of isolated compounds with previously reported bioactive compounds. Results: Of the two compounds ((6,6 & 1-kestopentaose (1) and 6-(hydroxymethyl)-3-[3,4,5- trihydroxy- 6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol)(2)). β-glucosidase, β-galactosidase, α-glucosidase and β-amylase inhibition activity of the compounds were predicted by structure activity relationship. Conclusion: Structure-activity relationship analysis was performed to predict the therapeutic role of isolated compounds. These computational studies may be performed to minimize the efforts to determine the therapeutic role of natural compounds.

Phosphorus Containing Porous Organic Polymers: Synthetic Techniques and Applications in Organic Synthesis and Catalysis

2021 ◽  
Author(s):  
Pramod Kumar ◽  
Animesh Das ◽  
Biplab Maji
Keyword(s):  
Organic Synthesis ◽  
Homogeneous Catalysis ◽  
Heterogeneous Catalysts ◽  
Organic Polymer ◽  
Organic Polymers ◽  
Porous Organic Polymers ◽  
Porous Organic Polymer ◽  
Phosphorus Containing

The phosphorous-containing porous organic polymer is a trending material for the synthesis of heterogeneous catalysts. Decades of investigations have established phosphines as versatile ligands in homogeneous catalysis. Recently, phosphine-based heterogeneous...

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