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All Journal VALENSI Jurnal Natur Indonesia Jurnal Matematika & Sains Jurnal Fisika Unand Jurnal Riset Kimia Majalah Kulit, Karet, dan Plastik Journal of Aceh Physics Society ODONTO Dental Journal Jurnal Litbang Industri CHEMPUBLISH JOURNAL ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry Indonesian Journal of Pure and Applied Chemistry Jurnal Ilmu Fisika Jurnal Riset Teknologi Pencegahan Pencemaran Industri Warta Pengabdian Andalas: Jurnal Ilmiah Pengembangan Dan Penerapan Ipteks Hydrogen: Jurnal Kependidikan Kimia REACTOR : Journal of Research On Chemistry And Engineering AJARCDE (Asian Journal of Applied Research for Community Development and Empowerment) Jurnal Litbang Industri Andalas Dental Journal SAINTI: Majalah Ilmiah Teknologi Industri Aceh International Journal of Science and Technology Jurnal Katalisator Odonto dental journal Jurnal Penelitian Kehutanan Wallacea Journal of The Indonesian Society of Integrated Chemistry Jurnal Kimia Unand
Emriadi -
Chemistry Department Faculty Of Mathematics And Natural Sciences Universitas Andalas
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Journal : CHEMPUBLISH JOURNAL

 1 
Studi komputasi terhadap struktur, sifat antioksidan, toksisitas dan skor obat dari scopoletin dan turunannya Annisa Wulandari; Afrizal Afrizal; Emriadi Emriadi; Mai Efdi; Imelda
CHEMPUBLISH JOURNAL Vol. 5 No. 1 (2020): Chempublish Journal
Publisher : Universitas Jambi, Fakultas Sains dan Teknologi, Program Studi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/chp.v5i1.9023

Abstract

Studi komputasi pada struktur, sifat antioksidan dari scopoletin dan turunannya telah dipelajari melalui analisis DFT/B3LYP/6-31G dalam fase gas. Analisis toksisitas dengan OSIRIS Property Explorer online telah menunjukkan bahwa scopoletin dan turunannya tidak bersifat mutagenik, tidak menyebabkan tumor dan iritasi, akan tetapi beberapa diantaranya memiliki resiko tinggi terhadap sistem reproduksi. Scopoletin dan turunannya memiliki skor obat berkisar antara 0,270 - 0,503 yang menunjukkan bahwa senyawa tersebut memiliki kemiripan obat yang sebanding dengan obat yang ada. Sifat antioksidan scopoletin dan turunannya dapat dijelaskan dengan baik oleh mekanisme transfer atom hidrogen (TAH) dengan nilai BDE berkisar antara 69,986 - 90,510 Kkal/mol dalam fase gas. Nilai BDE sangat dipengaruhi oleh sifat substituen dan ditemukan bahwa substituen pendorong elektron menurunkan nilai BDE. Nilai BDE menurun dengan urutan dari senyawa 9>6>7>8> scopoletin >1>10>3>5>4>2 dalam fase gas, sehingga urutan kemampuan mendonasikan atom hidrogen adalah 2>4>5>3>10>1> scopoletin >8>7>6 >9. Nilai ΔBDE dari scopoletin dan turunannya pada fase gas berkisar dari -16,064 hingga 4,460 Kkal/mol. Nilai BDE fase gas yang dihitung secara signifikan lebih rendah daripada nilai SET-PT dan PA pada fase gas. Hasil ini lebih lanjut menunjukkan bahwa TAH secara termodinamika lebih disukai daripada SET-PT, PA dan ETE dalam fase gas.
Inhibitor Korosi dari Ekstrak Daun Sambang Darah (Excoecaria cochinchinensis L.) pada Baja Lunak Dalam HCl: indonesia Gusniardi, Vira Anggita; Putri, Sanaq Elfira; Suryati, Suryati; Emriadi, Emriadi
Chempublish Journal Vol. 7 No. 2 (2023): Chempublish Journal
Publisher : Department of Chemistry, Faculty of Science and Technology Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/chp.v7i2.29254

Abstract

Corrosion inhibition studies in mild steels in HCl medium by extracts of sambang darah leaves (Excoecaria cochinensis L.) (EDSD) have been conducted using weight loss methods, Fourier-Transform Infrared Spectroscopy (FTIR), contact angle and Scanning Electron Microscopy (SEM). The study is aimed at determining the effectiveness of EDSD inhibition as a corrosion inhibitor in HCl medium. The inhibition efficiency was found to increase with increasing concentration of EDSD and decrease with increasing temperature. The results showed that EDSD was capable of inhibiting mild steel corrosion with an inhibitory efficiency of 87.972% at EDSD 6 g/L in 1 M HCl solution. EDSD adsorption on mild steel surfaces follows Langmuir's isoterm adsorption. The FTIR analysis showed interaction between the EDSD and the surface of the mild steel. The contact angle analysis indicated that the mild steel surface is hydrophobic with the presence of the EDSD. SEM analysis shows a change in the surface of mild steel immersed in a 1 M HCl medium without and with the addition of EDSD.
Co-Authors A, Hermansyah AA Sudharmawan, AA Ade Saputra Ade saputra Adlis Santoni Admin Alif Admin Alif Admin Alif Admin Alif Afdhal Muttaqin Afrizal Afrizal Ahmad Darmawi Alfi Asben Alif, Admin Amelia Amir Annisa Wulandari Anwar Kasim Arianti, Yuliana Athiyya Husna Aulia Arivin Billah Aura, Selfi Monica Azimatur Rahmi Bambang Ristiono Bustanul Arifin BUSTANUL ARIFIN Delfi Silvia Della Rosalynna S. Deswati Deswati DIAN LESTARI Eli Susanti Eni Rahmi Fajarandi, Nabiel Fauzia, Syiffa Fitria Ramadhani G Gunawarman, G Gita Rachmad Wibowo Gusniardi, Vira Anggita Hemansyah Aziz Hermansyah A Hermansyah Aziz Hilda Sartika I Imelda Ibnu Irawan Ida Ayu Putu Sri Widnyani Imelda Imelda Indah Wulandari Islami, Dini Muthi'ah Kazuhiro Manseki Khalishah, Salwa Kodir, Ade Ismail Abdul Kosno Supriyanto Lidia Gusfi Marni Mai Efdi Mai Efdi Maria Erna Maria Erna Maria Erna Kustyawati Marliani, Indah Tika Marniati Salim Maryam, Maryam Matlal Fajri Alif Mohd Jain Noordin Murdiman, Imelda Murniwati Murniwati Nabiel Fajarandi Nalwida Rozen Netri Elisma Novelina Novesar Jamarun Novesar Jamarun Novesar Jamarun Nurul Trinanda Rizal Olly Norita Tetra Pradiwi, Nailatul Zahrah Putri Arwanda Putri Ramadhani Putri Ramadhani, Putri Putri Yolanda Putri, Sanaq Elfira Rahma Joni Rahmayeni Rahmiana Zein Redha Fauzana Refinel - Rini Ramadhani Ruri Wijayanti S Syukri Safni Safni Sanaq Elfira Putri Sari Wahyuni Sartika, Hilda Savira Nurul Hayuni Silvia, Delfi Solly Aryza Sri Handani Sri Mutiar Sri Mutiar Sri Wildani Suryati Suryati Suryati Suryati Suryati Susanti, Eli Syiffa Fauzia Syukri - Syukri Arief Syukri Arief Syukri Syukri Takashi Sugiura Vira Anggita Gusniardi Wellia, Diana Vanda Wibowo, Gita Rachmad Wildani, Sri Wulandari Wulandari Yeni Stiadi Yetria Rilda Yola Azli Perdana Yuli Yetri Yuli Yetri Yuliana Arianti Yulizar Yusuf Yulizar Yusuf Zilfa Zilfa Zulhadjri Zulhadjri