Rahadian Zainul

Universitas Negeri Padang | UNP · Department of Chemistry

In the current study, DFT estimations were used to explore the influence of Stone-Wales defects on the ZnO nanosheet including its energetic, structural and electronic attributes for the adhesion of Na+ and Na. It was demonstrated that two types of Stone-Wales defects could be created within the ZnO nanosheet, and the stability of these newly defec...

The development of hydrocracking catalysts for crude palm oil (CPO) is a challenging process due to its limited textural or pore accessibility and low acidity properties. Therefore, this study aims to develop a series of SiO2-Al2O3-x/NiMo catalysts using different Al mass (x = 5, 10, 25 g) assisted with EDTA to enhance their physicochemical propert...

Silica gel is one of the adsorbents widely used in adsorption, but silica gel has a low ability to absorb metals. Hence, modifications need to be made to improve it. Silica gel modified using sulfonate groups from monosodium salt compound of 4-amino-5-hydroxy-2,7-naphthalene disulfonic acid using GPTMS coupling compound for adsorption and desorptio...

Developing a simple and environmentally friendly method to vary the physical, mechanical, and thermal properties of cellulose films is of great importance. This study aimed to characterize 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO)-oxidized bacterial cellulose (BC) films prepared using non-pressurized hot water vapor (NPHWV) method. A wet BC-pel...

This work explains application of Levy type solution method for bending analysis of a novel auxetic metamaterials reinforced doubly curved shell. The two opposite edges of the shell are assumed simply supported and two others one are assumed clamped. A shear deformable-based kinematic model is extended and the governing equations are derived using...

Nipah virus (NiV) continues to remain a significant threat to health of the public, characterized by its ability to cause respiratory and neurological complications. The World Health Organization (WHO) has identified NiV as a priority disease for its R and D Blueprint. However, despite extensive research efforts, specific antiviral therapies for Ni...

Ferulic acid (4-hydroxy-3-methoxycinnamic acid) is a phytochemical compound that is commonly found in conjugated forms within mono-, di-, polysaccharides and other organic compounds in cell walls of grain, fruits, and vegetables. This compound is highly abundant in the palm oil waste. The aim of the study was to predict the anticancer activity of f...

In this research, aligned with global policies aimed at reducing CO2 emissions from traditional power plants, we developed a holistic energy system utilizing solar, wind, and ocean thermal energy sources, tailored to regions optimal for ocean thermal energy conversion (OTEC). The selected site, characterized by favorable wind and solar conditions c...

This study aims to explore the relationship between 4-Hydroxycinnamic Acid, a compound found in broccoli fruit (Brassica oleracea var. italica), and Estrogen Receptor Beta Protein through in silico analysis. The research was conducted using Pymol, MOE 2015, Discovery Studio 2016, and Lepinski Rule software. These tools were employed to model the st...

Herbal plants are widely used as traditional medicine for generations. Some of them are bitter, in Indonesian called Sambiloto (Andrographis paniculata), red ginger in Indonesian called Jahe merah (Zingiber officinale var rubrum), and turmeric in Indonesian called Kunyit (Curcuma domestica). This study tested extracts containing a combination of th...

Bacteria have developed a tolerance due to the overuse of antibiotics. Even though thyme essential oils have antibacterial properties, their utilization is restricted because of their instability. To overcome these limitations, one strategy is to interact the oils with other molecules. This research delved into the effective role of B 12 N 12 in at...

Eigenvalue-eigenvector solution procedure is developed in this article for bending analysis of a graphene origami (G-Ori) reinforced composite plate subjected to thermomechanical loads. The first order shear deformable is extended for description of the displacement field components and the virtual work principle is used for derivation of the gover...

Methyl α-D-glucopyranoside (MDGP), a naturally occurring derivative of carbohydrates, is of interest to medicinal chemists because of its potential medical applications, especially as an antibacterial and antifungal agent. Gaussian 09 and density functional theory (DFT) were utilized to produce chemical descriptors for this investigation. The predi...

Within this piece of research, the interaction of four nanostructures (a boron nitride nanotube (BNNT) and a boron nitride nanocone (BNNC)) with Ca²⁺ ion and Ca atom was investigated for obtaining the cell voltage for Ca-ion batteries (CIBs). The basis set 6-31G(d) and the theory level of ωB97XD were used to perform the FMO, geometry optimization,...

Infectious wounds on the skin surface are easily colonized by bacteria from pyogenic group that manifest as inflammation, such as Pseudomonas aeruginosa. P. aeruginosa is a Gram-negative bacterium and an opportunistic pathogen known for causing invasive state in critically ill and immunocompromised patients. The aim of this study was to detect the...

Developing efficient adsorbents for the removal of AsH3 is of paramount importance. In this study, we employed density functional theory calculations to devise novel adsorbents capable of effectively capturing AsH3, thereby gaining comprehensive insights into the adsorption mechanism of AsH3 on silicon carbide (SiC). It is found that AsH3 molecules...

Introducing and using novel conductive organic–inorganic material systems for the supercapacitor industry is rapidly emerging. In this work, the well-defined MCo2O4 nanospheres (M: Mn, Ni) are successfully grown on the graphitic carbon nitride/polypyrrole (g-C3N4@PPy) nanoparticles by hydrothermal/polymerization process. XPS, FT-IR, XRD, BET, and S...

HIV-2 infection is a unique concern with fewer cases than HIV-1, but it poses a high mortality rate due to its resistance to all HIV-1 antiretroviral treatments. This study focuses on one type of antiretroviral, reverse transcriptase (RT) inhibitors, as they play an important role in HIV-2 replication. The screening of potential HIV-2 antiretrovira...

Abstract A first-principles DFT investigation was conducted to study the sensing of formaldehyde (CH2O) via pure biphenylene monolayer (PBPML) and gold-decorated biphenylene monolayer (Au-BPML) monolayer. The PBPML exhibited superior adhesion of CH2O molecule in comparison with other reported 2D materials, but it physiosorbed onto the PBPML with th...

Alkaloids are a complex class of biologically active compounds with a broad spectrum of health-related applications. Particularly the alkaloids of indole, steroidal, terpenoids, isoquinoline, and bisbenzylisoquinoline have been extensively investigated. Ultimately, substantial advancement has been highlighted in the investigation of chemical consti...

T cell immunity, like responses of CD4 + and CD8 + T-cell, plays an important role to fight against viral infections and pathological harm. Several previous studies have shown the results that rabies virus (RABV) protein can act as an ideal receptor for rabies neuroseptic vaccine by inducing a response of T-cell. In this research, we evaluated poss...

The efficiency of lithium-ion batteries (LIBs) depends upon anode materials possessing high capacity. In present study, we investigate boron carbide cone anode (BCC) for LIBs. The first-principles density functional theory (DFT) method is used to design anode materials based on BCC for application in LIBs. We found that the BCC shows negative Li ad...

First-principles density functional theory (DFT) was adopted for investigating the influence of adatoms (S, Si, Al) upon the graphene quantum dot functionalized with the carboxyl group (CO2H-GQD) in order to find novel materials due to unique optical (redshift) and electronic (lower bandgap) properties for utilization in quantum dot solar cells (QD...

CO2 and CO gas sensors are very important to recognize the insulation situation of electrical tools. ToCO explore the application of noble metal doped of aluminum nitride nanotubes for gas sensors, DFT computations according to the first principal theory were applied to study sensitivity, adsorption attributes, and electronic manner. In this invest...

The physical and mechanical properties of biopolymers can be improved by heating technologies. In this research, we improved the properties of Polyvinyl alcohol (PVA)/Uncaria gambir extract (UGE) blend films by post-heating method. After post-heating, the blend film exhibited higher resistance to UV light and improved contact angle performance, whi...

Ionic liquids (ILs) stand out due to the characteristic negligible vapor pressure and molecular design ability, along with several intriguing features like a highly ionized environment, good thermal/chemical stability, and universal solubility/affinity, to satisfy the high-energy request for creating better supercapacitors (SCs). In this context, t...

Breast cancer is a chronic health problem that causes 690,000 deaths worldwide. The development of secondary metabolite compounds from natural preparations through an in silico approach is needed as a predictive tool to prevent breast cancer, one of them is cladosporol from Cladosporium spp. This study aims to utilize an in silico approach to predi...

Rabies remains a pervasive zoonotic disease in Indonesia, necessitating innovative strategies for vaccine development. This manuscript presents an in silico study focused on the construction of a novel plasmid-based DNA vaccine targeting the Indonesian rabies virus (RBV) glycoprotein, augmented with myeloid differentiation factor 88 (MyD88) as a ge...

In this study, acute toxicity tests and liver histopathology in male white rats were used to explore the immunomodulatory potential of MCH2 syrup, which was prepared with a 2:2 ratio of Phyllantus niruri L. and Morinda citrifolia L. The study, which used a posttest-only control group design, entailed giving different dosages of MCH2 syrup orally an...

Nowadays, dengue virus (DENV) is still become a global problem, even though the virus infection issues have reached half of the population in some countries each year. DENV belongs to the enveloped virus with positive-sense single-stranded RNA (+ssRNA) genus Flavivirus and belongs to the Flaviviridae family. DENV has structural proteins which consi...

This research aims to study the interaction between Isorhamnetin compound and Xanthine Dehydrogenase enzyme in onion (Allium cepa) as part of purine metabolism. The research methods used include the use of Pymol, Pyrex, Protein Plus, and Lepinski Rule software. The use of Pymol was used to visualize the structure of Isorhamnetin and Xanthine Dehydr...

Magnetised attapulgite (ATP-Fe3O4) adsorbent was synthesised using a sonochemistry approach for the solid phase extraction of As³⁺ from stimulated and unrefined crude oil samples. The average size of the Fe3O4 nanoparticles estimated from the Transmission Electron Microscopy (TEM) image was 10 nm. The TEM analysis also showed that Fe3O4 nanoparticl...

Background: Ramie (Boehmeria nivea) has been reported to have a wide variety of secondary metabolite compounds in its vegetative organ that have distinct organic activities. Regarding the chemical composition of flowers, there have been no study considering their pharmacological effects. Purpose: This research aims to determine profile metabolites...

The purpose of this study was to investigate the effect of the scaffolding guidance provision on students' science process skills (SPS) in a project-based learning (PjBL) about acid and base concepts. A quasi-experimental research design was applied to collect data using a pre-validated SPS-observation. An experiment group of students of SMAN 3 in...

This study delineated the development of an augmented reality (AR+Core) mobile application to enhance computer hardware education. By offering 3D visualizations of computer internals, the application enables students to immerse in hardware-related learning without the need of actual devices. This virtual approach ensures accessibility from anywhere...

Cancer-related hypercalcemia is a common metabolic complication seen in patients with advanced malignancies, affecting 10-30% of all cancer patients. It is associated with significant morbidity and mortality, highlighting the need for a comprehensive understanding of its pathophysiology and effective treatment strategies. The pathophysiology of can...

Klebsiella pneumoniae is a gram-negative of bacteria that are known to cause a variety of nosocomial respiratory tract infections including pneumonia. K. pneumoniae is also included in the ESKAPE bacteria group which has high resistance to antibiotics. Therefore, alternative treatment for K. pneumoniae infection is needed, one of which is by develo...

Monoclonal antibodies composed entirely of human immunoglobulin G4 that specifically target programmed death-1 (PD-1) are referred to as Nivolumab and Pembrolizumab. Monoclonal antibody of anti-PD-1 type for glioblastoma was found to be beneficial and harmless in preclinical research. Monoclonal antibody of anti-PD-1 (Pembrolizumab, Nivolumab) vers...

Corn stalk can be used as a potential adsorbent because of its abundance, cost-effectiveness, and accessible functional groups that allow chemical modifications. This study aims to synthesize cellulose xanthate alginate beads (ACX beads) from corn stalks to remove methylene blue from aqueous solutions. ACX beads with various doses of porogen CaCO3...

This study investigates the effectiveness of Kaempferol, a compound extracted from broccoli (Brassica oleracea var. italica), as a catalyst in controlling melanin production through its interaction with the tyrosinase protein. Utilizing a variety of computational tools, including Pymol, Pyrex, Protein Plus, and Lepinski Rule software, the study exp...

Corn stalk can be used as a potential adsorbent because of its abundance, cost-effectiveness, and accessible functional groups that allow chemical modifications. This study aims to synthesize cellulose xanthate alginate beads (ACX beads) from corn stalks to remove methylene blue from aqueous solutions. ACX beads with various doses of porogen CaCO3...

This article explores the latest advancements in the use of functionalized multi-walled carbon nanotubes (MWCNTs) for the simultaneous detection of uric acid (UA), dopamine (DA), and ascorbic acid (AA) in various biological fluids. These analytes are crucial due to their association with numerous diseases and their vital roles in physiological func...

This systematic review critically examines recent advancements in electrochemical materials and methodologies for enhancing stability and performance in energy storage and analytical applications. The review encompasses a diverse range of topics, including the thermodynamic analysis of cathode-contacting material stability, nanostructure-modified e...

Rabies remains a pervasive zoonotic disease in Indonesia, necessitating innovative strategies for vaccine development. This manuscript presents an in silico study focused on the construction of a novel plasmid-based DNA vaccine targeting the Indonesian rabies virus (RBV) glycoprotein, augmented with myeloid differentiation factor 88 (MyD88) as a ge...

Purpose. Mangrove ecosystems have a protective function; they support high biodiversity and protect endemic/rare/endangered species. For these reasons, they are essential on a regional, national, and even world scale. The protected zone in the coastal region of Bungus Bay, Padang City, Indonesia is located in the coastal and river boundaries. It pr...

Background: Plants, herbs, and ethnobotanicals have been utilized for health promotion and disease treatment since the dawn of time and are still widely employed today. The immense demand and potential health advantages of herbal medicines balance out the enormous research demands. There is a need for research on the quality, safety, molecular effe...