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1.
J Biomol Struct Dyn ; : 1-12, 2023 Jun 30.
Article in English | MEDLINE | ID: mdl-37387587

ABSTRACT

Immunotherapy using checkpoint inhibitors blocks the checkpoint proteins (programmed cell death receptor-1; PD-1) from binding with their corresponding ligands (programmed cell death receptor ligand-1; PD-L1) to regulate cell signaling pathways. The marine environment holds a huge source of small molecules that are understudied which can be developed as an inhibitor. Hence, this study investigated the inhibitory effect of 19 algae-derived small molecules against PD-L1 by using molecular docking, absorption, distribution, metabolism, and elimination (ADME) properties and molecular dynamics simulations (MDS). The molecular docking revealed that the binding energy of the six best compounds ranges from -11.1 to -9.1 kcal/mol. Fucoxanthinol, in particular, has the strongest binding energy at -11.1 kcal/mol with three hydrogen bonds (ASN:63A, GLN:66A, and ASP:122A). Meanwhile, the MDS demonstrated that the ligands were strongly bound to the protein, indicating the stability of the complexes. In summary, the identified compounds are potential PD-L1 inhibitors in immunotherapy.Communicated by Ramaswamy H. Sarma.

2.
Polymers (Basel) ; 13(9)2021 May 06.
Article in English | MEDLINE | ID: mdl-34066308

ABSTRACT

Toxic metals in the industrial wastewaters have been liable for drastic pollution hence a powerful and economical treatment technology is needed for water purification. For this reason, some pure cellulosic materials were derived from waste fiber to obtain an economical adsorbent for wastewater treatment. Conversion of cellulose into grafting materials such as poly(methyl acrylate)-grafted cellulose was performed by free radical grafting process. Consequently, poly(hydroxamic acid) ligand was produced from the grafted cellulose. The intermediate products and poly(hydroxamic acid) ligand were analyzed by FT-IR, FE-SEM, TEM, EDX, and XPS spectroscopy. The adsorption capacity (qe) of some toxic metals ions by the polymer ligand was found to be excellent, e.g., copper capacity (qe) was 346.7 mg·g-1 at pH 6. On the other hand, several metal ions such as cobalt chromium and nickel also demonstrated noteworthy sorption capacity at pH 6. The adsorption mechanism obeyed the pseudo second-order rate kinetic model due to the satisfactory correlated experimental sorption values (qe). Langmuir model isotherm study showed the significant correlation coefficient with all metal ions (R2 > 0.99), indicating that the single or monolayer adsorption was the dominant mode on the surface of the adsorbent. This polymer ligand showed good properties on reusability. The result shows that the adsorbent may be recycled for 6 cycles without any dropping of starting sorption capabilities. This polymeric ligand showed outstanding toxic metals removal magnitude, up to 90-99% of toxic metal ions can be removed from industrial wastewater.

3.
ACS Omega ; 6(10): 6766-6779, 2021 Mar 16.
Article in English | MEDLINE | ID: mdl-33748590

ABSTRACT

Highly active natural pandanus-extracted cellulose-supported poly(hydroxamic acid)-Cu(II) complex 4 was synthesized. The surface of pandanus cellulose was modified through graft copolymerization using purified methyl acrylate as a monomer. Then, copolymer methyl acrylate was converted into a bidentate chelating ligand poly(hydroxamic acid) via a Loosen rearrangement in the presence of an aqueous solution of hydroxylamine. Finally, copper species were incorporated into poly(hydroxamic acid) via the adsorption process. Cu(II) complex 4 was fully characterized by Fourier transform infrared (FTIR), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), inductively coupled plasma optical emission spectrometry (ICP-OES), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) analyses. The cellulose-supported Cu(II) complex 4 was successfully applied (0.005 mol %) to the Ullmann etherification of aryl, benzyl halides, and phenacyl bromide with a number of aromatic phenols to provide the corresponding ethers with excellent yield [benzyl halide (70-99%); aryl halide (20-90%)]. Cu(II) complex 4 showed high stability and was easily recovered from the reaction mixture. It could be reused up to seven times without loss of its original catalytic activity. Therefore, Cu(II) complex 4 can be commercially utilized for the preparation of various ethers, and this synthetic technique could be a part in the synthesis of natural products and medicinal compounds.

4.
J Nanosci Nanotechnol ; 21(3): 1570-1577, 2021 03 01.
Article in English | MEDLINE | ID: mdl-33404420

ABSTRACT

Mesoporous silica supported adsorbents have been used towards metal ion removal from water due to their thermally stability and good sorption capacity. Thus, mesoporous silica-based methyl acrylate monomer (Silica-APTES-DPNO) was converted into hydroxamic acid (SBHA) by using oximation reaction and all products are analyzed by by FT-IR. The SBHA showed satisfactory binding properties with copper, cobalt, nickel and lead are 242, 206, 195 and 516 mg g-1, respectively, with the batch adsorption system was set to pH 6. The kinetics of metal ions binding obeyed the pseudo-1st-order process up to 60 min. In this study also consider the Langmuir and Freundlich isotherm to find out the sorption behavior. The isotherm study demonstrated the well fit with Freundlich isotherm (R² > 0.99). Thus, adsorption take place as a multilayer system, therefore, SBHA material is useful for the metal ions removal from water.

5.
Polymers (Basel) ; 12(11)2020 Oct 29.
Article in English | MEDLINE | ID: mdl-33137923

ABSTRACT

Industrial operations, domestic and agricultural activities worldwide have had major problems with various contaminants caused by environmental pollution. Heavy metal pollution in wastewater also a prominent issue; therefore, a well built and economical treatment technology is demanded for pollution-free wastewater. The present work emphasized pure cellulose extracted from jute fiber and further modification was performed by a free radical grafting reaction, which resulted in poly(methyl acrylate) (PMA)-grafted cellulose and poly(acrylonitrile)-grafted cellulose. Subsequently, poly(hydroxamic acid) and poly(amidoxime) ligands were prepared from the PMA-grafted cellulose and PAN-grafted cellulose, respectively. An adsorption study was performed using the desired ligands with heavy metals such as copper, cobalt, chromium and nickel ions. The binding capacity (qe) with copper ions for poly(hydroxamic acid) is 352 mg g-1 whereas qe for poly(amidoxime) ligand it was exhibited as 310 mg g-1. Other metal ions (chromium, cobalt and nickel) show significance binding properties at pH 6. The Langmuir and Freundlich isotherm study was also performed. The Freundlich isotherm model showed good correlation coefficients for all metal ions, indicating that multiple-layers adsorption was occurred by the polymer ligands. The reusability was evaluated and the adsorbents can be reused for 7 cycles without significant loss of removal performance. Both ligands showed outstanding metals removal capacity from the industrial wastewater as such 98% of copper can be removed from electroplating wastewater and other metals (cobalt, chromium, nickel and lead) can also be removed up to 90%.

6.
Environ Sci Pollut Res Int ; 27(27): 34541-34556, 2020 Sep.
Article in English | MEDLINE | ID: mdl-32557073

ABSTRACT

A waste material known as palm oil empty fruit bunch (EFB) is used as a source of cellulose for the development of polymeric materials for the removal of metal ions from industrial wastewater. A poly(acrylonitrile)-grafted palm cellulose copolymer was synthesized by a conventional free radical initiating process followed by synthesis of a poly(amidoxime) ligand by oximation reaction. The resulting products were characterized by FT-IR, FE-SEM, EDX, TGA, DSC, and XPS. The poly(amidoxime) ligand was used to coordinate with and extract a series of transition metal ions from water samples. The binding capacity (qe) of the ligand with the metal ions such as copper, iron, cobalt, nickel, and lead were 260, 210, 168, 172, and 272 mg g-1, respectively at pH 6. The adsorption process followed the pseudo-first-order kinetic model (R2 > 0.99) and as well as the Freundlich isotherm model (R2 > 0.99) indicating the occurrence of a multi-layer adsorption process in the amidoxime ligand adsorbent. Results from reusability studies show that the ligand can be recycled for at least 10 cycles without any significant losses to its initial adsorption capacity. The synthesized polymeric ligand was shown to absorb heavy metals from electroplating wastewater with up to 95% efficiency.


Subject(s)
Metals, Heavy , Water Pollutants, Chemical , Water Purification , Adsorption , Electroplating , Hydrogen-Ion Concentration , Kinetics , Oximes , Spectroscopy, Fourier Transform Infrared , Wastewater
7.
Front Chem ; 8: 568063, 2020.
Article in English | MEDLINE | ID: mdl-33628762

ABSTRACT

Over the last decade, interest in the utilization of solar energy for photocatalysis treatment processes has taken centre-stage. Researchers had focused on doping TiO2 with SiO2 to obtain an efficient degradation rate of various types of target pollutants both under UV and visible-light irradiation. In order to further improve this degradation effect, some researchers resorted to incorporate plasmonic metal nanoparticles such as silver and gold into the combined TiO2-SiO2 to fully optimize the TiO2-SiO2's potential in the visible-light region. This article focuses on the challenges in utilizing TiO2 in the visible-light region, the contribution of SiO2 in enhancing photocatalytic activities of the TiO2-SiO2 photocatalyst, and the ability of plasmonic metal nanoparticles (Ag and Au) to edge the TiO2-SiO2 photocatalyst toward an efficient solar photocatalyst.

8.
J Nanosci Nanotechnol ; 19(9): 5796-5802, 2019 09 01.
Article in English | MEDLINE | ID: mdl-30961741

ABSTRACT

Ion-imprinting polymers (IIPs) materials draw the great recognition because of the powerful selectivity to the desired metal ions. Therefore, the ion-imprinting polymer (Ce-IIP) was prepared by using cerium metal with amidoxime ligand as the complexing agent, in addition ethylene glycol dimethacrylate (EGDMA) and 2,2-azobisisobutyronitrile (AIBN) are crosslinking agent and free radical initiator, respectively. Aqueous HCl was applied to leach the cerium ions from the imprinted polymer for the creation of cavities of template, which is utilized for further cerium ions adsorption with high selectivity. The Ce-IIP was characterized by using ICP-MS, FE-SEM and also solid state analysis by UV-vis NIR spectroscopy. FT-IR study confirmed the complexation of the Ce-IIP was successful. The optimum pH was found to be 6 and the highest adsorption capacity was estimated about 145 mg g-1. Thus, the prepared Ce-IIP gave very good selectivity to cerium ions in the presence of lanthanide ions and also Ce-IIP can be reused 10 times without a substantial loss in adsorption capacity.

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