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Walisongo Journal of Chemistry
Published by Universitas Islam Negeri Walisongo Semarang
ISSN : 2549385X     EISSN : 26215985     DOI : 10.21580/wjc
Core Subject : Science,
Chemistry
Walisongo journal of chemistry is a peer reviewed and open access journal published by Chemistry Department, faculty of Science and Technology, UIN Walisongo Semarang. This journal covering all areas of chemistry including inorganic, organic, physic, analytic, biochemistry, and environmental chemistry. Walisongo Journal of Chemistry publish two issues annually (July and October). Article which accepted in this journal was written by Bahasa and English.
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Articles 203 Documents
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Modelling of QSAR Equations for Styryl Quinolone Compound Derivatives as HIV-1 Inhibitors Firdaus, Irvan Maulana; Hafshah, Mutista; Amin, Ahmad Faqih; Satriya, Daffa Faiq Aji
Walisongo Journal of Chemistry Vol 7, No 1 (2024): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v7i1.22315

Abstract

HIV-1 (Human Immunodeficiency Virus) inhibitor compounds have been designed using a QSAR analysis approach for 33 styryl quinolone derivative compounds, with descriptors calculated using semi-empirical methods. This research aims to determine the best semi-empirical method and to obtain the best QSAR equation by comparing the Principal Component Regression method with Multiple Linear Regression, as well as modifying the structure of new styryl quinolone derivative compounds to achieve higher predicted theoretical HIV-1 integrase protein inhibitor activity. The analysis results showed that the semi-empirical MINDO3 method was the best. The QSAR MINDO3 equation with Principal Component Regression is as follows: :  pIC50 = 5.046 + 0.515 VL1 with n = 33, r = 0.611, r2 = 0.374, SD = 0.677, Fcount/Ftable = 4.45, PRESS = 20.554, Sig = 0.01.  Meanwhile, with Multiple Linear Regression, the equation is as follows: pIC50 = -11.252 + 88.481 (qC3) + 26.667 (qC4) + 9.156 (qC5) – 1.443 (qC7) + 4.284 (qC8)-0.03 (Surface Area Approx) + 0.033 (Grid) - 0.195 (logP) – 0.007 (Mr) – 2.166 (HOMO) with n = 33; r = 0.870; r2 = 0.758; SD =0.500; Fcount/Ftable =2.995; PRESS =5.505; Sig. 0.01. The design of the new compound was carried out based on the best QSAR equation, namely Multiple Linear Regression. We obtained 10 structural modifications from the equation above with the best theoretical pIC50 values from the reference ligand.
Determination Of Sodium Nitrite in Dumplings Available in Online Shops Using Ultraviolet-Visible Spectrophotometry Mulyaningsih, Listiana Neli; Putri, Saskia Anugrah; Muhaimin, Muhaimin; Kuntari, Kuntari
Walisongo Journal of Chemistry Vol 7, No 1 (2024): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v7i1.18411

Abstract

This research aims to determine the sodium nitrite content in dumplings in online stores based on differences in storage. The method used in this research is UV-Vis spectrophotometry with a maximum wavelength of 540 nm. The samples obtained from the online shop were two with different brands and were given the codes MT and CD. Samples in closed packaging that are still sealed are categorised as fresh samples and then tested for sodium nitrite content in the sample. Then, the remaining fresh samples were tested after being stored for 24 hours. The research results showed that the sodium nitrite content in fresh samples of different brands had different levels. Respectively, sodium nitrite levels with codes MT and CD were obtained at 9,890 mg/Kg and 15,545 mg/Kg. Samples that had undergone a 24-hour storage process with the MT and CD brands obtained 6,862 mg/Kg sodium nitrite contents and 13,209 mg/Kg. The sodium nitrite content in samples from different brands is still below the requirements set by the National Agency of Drug and Food Control of the Republic of Indonesia Regulation No. 11 of 2019 concerning food additives, namely 30 mg/Kg. This means that the sample is still categorised as suitable for consumption by the public. Fresh sample precision as %RPD for MT and CD brands is 7.030% and 6.954%. Meanwhile, sample precision after storage for the MT and CD brands was 8.382% and 1.921%, respectively. Thus, the precision in this test is declared to meet the acceptance requirements of 10%. The estimated uncertainty of the test for determining sodium nitrite levels in dumpling samples meets the acceptance requirements of 30% levels.
In-Silico Analysis of Polyphenol Compounds in Pomegranate Fruit (Punica granatum L.) Peel Potential as type 2 Antidiabetes Mellitus ummah, khoirotul; Jariyah, Ita Ainun
Walisongo Journal of Chemistry Vol 6, No 2 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i2.17692

Abstract

Diabetes mellitus is a disease characterized by increased blood sugar levels due to insulin resistance caused by the uncontrolled expression of the protein tyrosine phosphatase 1B (PTP1B). Several compounds that inhibit PTP1B have been studied, including polyphenol. Many studies have been conducted on diabetes medicines based on natural ingredients, including the pomegranate fruits (Punica granatum L). This study aims to test the inhibitory activity of polyphenolic compounds in pomegranate peel (gallic acid, caffeic acid, ellagic acid, chlorogenic acid, apigenin, quercetin, pelargonidin, and cyanidin) against PTP1B through molecular docking. The 3D structures of polyphenolic compounds were obtained from the PubChem database, while PTP1B was from the Protein Data Base. Molecular docking simulations were carried out using AutoDock Vina and several supporting softwares, such as Biovia Discovery Studio Client 4.1, AutoDockTools 1.5.6, PyMOL, and LigPlot. Molecular docking results showed that polyphenolic compounds from pomegranate peel have good inhibitory potential against PTP1B. It is proven by the binding affinity value for PTP1B, which is low and negative, namely in the range -6.4 to -8.4 kcal/mol, and the inhibition constant in the range 0.69 to 20,12 µM. The presence of phenol and carboxylic acid groups in polyphenol compounds can strengthen ligand-protein complexes through hydrogen bonds, especially with the amino acid residues Gln221 and Cys215. The potential of polyphenolic compounds as antidiabetics is also supported by van der Waals interactions and π-π stacking interactions with PTP1B. Based on the molecular docking test that has been carried out, it can be concluded that the polyphenolic compounds in pomegranate peel have the potential to act as type 2 anti-diabetes mellitus.
Effect of Surfactants on Total Phenol Content from Sonication Extraction of Moringa (Moringa oleifera Lamk) Leaves in Vegetable Oil Azhar, Istighfarin Meilidya; Mahmudah, Rif'atul; Fasya, Ahmad Ghanaim
Walisongo Journal of Chemistry Vol 7, No 1 (2024): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v7i1.20545

Abstract

This research aimed to determine the effect of variations in surfactant addition and sonication extraction time on the total phenolic content of Moringa leaves in vegetable oils, namely Virgin Coconut Oil (VCO) and Extra Virgin Olive Oil (EVOO). Moringa leaf extract in VCO and EVOO at varying volume additions of tween 80 of 0 mL; 0.1 mL; 0.2 mL; 0.3 mL; and 0.4 mL, as well as variations in extraction time, namely 0, 10, 20, and 30 minutes. The solution mixture was sonicated at room temperature with a frequency of 42 kHz. The extraction results were tested for total phenol content using the total phenol measurement method (Folin-Ciocalteu), whose absorption was measured using a UV-Vis Spectrophotometer. The best variation was the addition of tween 80 volume of 0.4 mL and extraction time of 30 minutes; sonicated Moringa leaf extract in VCO was 39.28 ± 1.75 mg GAE/g and EVOO was 57.80 ± 2.89 mg GAE/g. Furthermore, the typical functional groups of phenolic compounds in the best Moringa leaf herbal oil extract in VCO and EVOO were identified using an FTIR spectrophotometer.
Utilization of Silver Nanoparticles as Adsorbent of Methylene Blue Susanto, Nindita Clourisa Amaris; Fajri, Nadiatul; Pratama, Yoga; Prasetio, M. Reza; Rahayu, Rahayu; Hapsari, Aulia Ratri
Walisongo Journal of Chemistry Vol 6, No 2 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i2.18250

Abstract

This study has successfully synthesized silver nanoparticles (Ag NPs) using banana stem extract as the bioreductor and reported its application in adsorption of methylene blue (MB). Adsorption of MB was tested under ultraviolet light by varying pH solution values (3, 4, 5, 7, 9, 10, and 11), irradiation times (0,5, 1, 2, 3, 4, 5 hours), and MB concentrations (50, 100, 150, and 200 ppm) to determine their optimum values. The results revealed that the optimum pH value and irradiation time were at 9 and 1 hour, demonstrating the highest deconcentration percentage (%D) of 89.19% and 94.58%, respectively. The %D of MB dye by samples with concentrations of 50, 100, 150, and 200 ppm were 86.294%, 78.416%, 69.366%, and 66.638%, respectively, with an average of %D of 75.189%. The least degraded MB was 90.643 mg, obtained at 50 ppm. Meanwhile, the most degraded MB was 280.181 mg, attained at 200 ppm. The average concentration of degraded MB was 188.538 mg/gr.
Chemometric Analysis on Fingerprints of Acalypha Indica L Based on the Different Drying Methods Hayati, Elok Kamilah; Anggraini, Maulinda Putri
Walisongo Journal of Chemistry Vol 6, No 2 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i2.14865

Abstract

The use of an anting-anting plant (Acalypha indica Linn) as a raw material of herbal medicine requires a standardized process in its production. This research aims to determine the fingerprint pattern of active compounds using a thin-layer chromatography method with specific samples that applied various drying methods, such as direct sunlight drying, greenhouse drying, and oven drying at 50°C. The chemometrics data interpretation with the Principal Component Analysis (PCA) method was applied to analyze the obtained fingerprint patterns to identify the differences among the variations. The separation of active compounds in the anting-anting plant using ultrasonic extraction for 20 minutes with ethyl acetate as the solvent. Consecutively, the thin-layer chromatography fingerprint was investigated by applying a subsequent comparison of mobile phase cyclohexane: toluene: diethylamine by 75:15:10. The result from the TLC plate spots was examined to detect the differences among the fingerprints, with the help of ImageJ and Orange software. The fingerprints with various drying methods resulted in the possession of 11 stains of active compounds. The ImageJ software generated chromatograms with Area Under the Curve (AUC) values, further subjected to chemometrics analysis using PCA. The PCA results showed simple grouping patterns for each variation, with a total principal component (PC) of 86.03% (PC1 = 52.78%, PC2 = 33.25%), indicating the success criteria of PCA chemometrics analysis.
Rice Husk Ash: A Promising Heavy Metal Adsorbent For Wastewater Treatment Kumalasari, Meiyanti Ratna; Beladona, Siti Unvaresi Misonia; Gracia, Amanda Natania; Sugiyani, Tina; Wulandari, Oktavia Rahmi; Imelya, Marsya; Syaima, Husna; Hanif, Qonita Awliya
Walisongo Journal of Chemistry Vol 7, No 1 (2024): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v7i1.18852

Abstract

The primary polluter of the environment is liquid waste. Silica is one substance that can be utilized to minimize water pollution. Silica can be produced from agricultural biomass waste, such as rice husk ash. This study investigated the preparation of rice husk ash and the optimal synthesis method for producing bio-silica. A literature review of studies on rice husk ash, heavy metals, and adsorbents was conducted. The findings indicated that boiling rice husk at 800°C and washing with HCl produced high-purity silica. XRD (X-ray diffraction), FT-IR (Fourier transform infrared) spectrophotometers, and ED-XRF (Energy Dispersive X-ray fluorescence) were employed to characterize the rice husk ash. The precipitation, sol-gel, acidification, and hydrothermal methods were compared for bio-silica synthesis. The synthesized bio-silica can be used as a heavy metal absorbent for various metal ions, including Pb2+, Zn2+, Mn2+, Cu2+, As3+, As5+, and Cd2+.
Phytochemical Screening, Antioxidant Capacity Measurement, and Mineral Content Determination of Thymus vulgaris L. Extracts Elsherif, Khaled Muftah; Ewlad-Ahmed, Abdunaser Mabrok Mabrok; Alhlbad, Ebtesam Abdallah Ahmed; Iqneebir, Abdulrhman Mohammed
Walisongo Journal of Chemistry Vol 6, No 2 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i2.17818

Abstract

The aim of this study was to evaluate the chemical composition and antioxidant activity of Thymus vulgaris L. extracts. T. vulgaris L. is a medicinal plant that has various bioactive compounds. Four different solvents (ethanol, water, ethyl acetate, and chloroform) were used to extract these compounds from the plant. The phytochemical screening of the extracts showed that the ethanolic extract had the highest diversity of compounds, including coumarins, flavonoids, alkaloids, tannins, phenols, carbohydrates, and proteins. The total phenolic and total antioxidant contents of the ethanolic extract were measured by the Folin–Ciocalteu and phosphomolybdenum methods, respectively. The ethanolic extract had a high phenolic content of 77.7 mg gallic acid equivalent/g dry weight, which indicates its potential antioxidant capacity. The mineral content of T. vulgaris L. was also assessed by flame photometry and atomic absorption spectrophotometry after dry digestion. The plant contained five macroelements (K, Na, Ca, Mg, P) and three microelements (Fe, Cu, Zn) in different concentrations. The highest concentration was found for potassium (15259 mg/kg), followed by calcium (5118 mg/kg) and sodium (4793 mg/kg). The lowest concentration was found for phosphorus (1400 mg/kg), which was still higher than the microelements. Among the microelements, zinc had the highest concentration (24.82 mg/kg), followed by iron (17.44 mg/kg) and copper (14.98 mg/kg). The results of this study provide useful information for the users, collectors and practitioners of medicinal plants from polluted areas, as they can evaluate the quality and safety of T. vulgaris L. for human consumption.
Utilization Of Chlorella Pyrenoidosa As A Phytoremediator For Tannery Waste Adetya, Nais Pinta; Arifin, Uma Fadzilia; Anggriyani, Emiliana; Rachmawati, Laili
Walisongo Journal of Chemistry Vol 7, No 1 (2024): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v7i1.20749

Abstract

This study aims to analyze the effect of phytoremediation on the bioremoval of COD, ammonia, and Cr (VI) from tannery wastewater and examine its effect on the growth of Chlorella populations. The research method consisted of two stages: first, preparation of liquid waste media. The second is culturing pure cultures followed by microalgae cultivation using leather tanning liquid waste media with a concentration variation of 0%, 10%, 20%, and 30% v/v. Filtrate samples after harvest were analyzed for COD, ammonia, and Cr (VI). The results obtained in this study show that Chlorella can grow in tanning waste media. The highest exponential phase occurs at a concentration of 20% with a growth rate of 0.557. Tannery liquid waste contains inorganic minerals utilized by Chlorella pyrenoidosa cells for growth. Cultivation of Chlorella pyrenoidosa can reduce leather tanning liquid waste parameters, namely COD, ammonia, and Cr (VI).
Utilization of Senduduk Fruit Extract (Melastoma malabathricum) for Natural Color in Lip Cream Zulaicha, Annisaa Siti; Munawaroh, Khoryfatul; Saputra, Iwan Syahjoko; Setiajaya, Arif
Walisongo Journal of Chemistry Vol 6, No 2 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i2.18427

Abstract

Decorative cosmetics function to beautify your appearance with a combination of colors such as blush, hair dye and lip color . A class of cosmetics that women always use to give a more attractive appearance are decorative cosmetics such as lips cream. The coloring ingredients added to lip cream preparations are chosen from an economic perspective, but the optimal level of color stability means that many manufacturers still use dangerous chemical dyes such as Rhodamine B in their products. This dye can cause irritation to the respiratory tract and is carcinogenic. Therefore, the aim of the research is to formulate a lip cream preparation with natural coloring agent from sendunia fruit extract that is safe, useful and of good quality through physical and stability tests. Extraction was carried out using the maceration method for 3x24 hours using 96% ethanol solvent. Senduduk fruit extract lip cream is formulated into 4. The base comparisons carried out were (carnauba wax: microcrystaline wax) F 0 (12.6; 10.6), F1 (9.6; 7.6), F2 (7.6; 9.6), and F4 (9 ;9), physical properties assessed from the organoleptic test, homogeneity test, spreadability test, adhesion, pH test. The results of the hedonic test can be concluded that F2 color is the best formulation interested.

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