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The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density Functional Study Saprizal Hadisaputra; Niko Prasetyo
Makara Journal of Science Vol 20, No 2 (2016): June
Publisher : Directorate of Research and Community Engagement, Universitas Indonesia

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Abstract

The explosive sensitivity upon the formation of supramolecular interaction between the nitro group of 3-nitro-1,2,4-triazol-5-one (NTO) and metal ions (Mn+ = Li+, Na+, Be2+ and Mg2+) has been investigated using Density Functional Theory at B3LYP/6-311++G** level of theory. The bond dissociation energy (BDE) of the C1–N6 trigger bond has also been discussed for the NTO monomer and the corresponding complexes. The interaction and bond dissociation energy of the C6–N7 trigger bond follow the order of NTO-Be2+ > NTO-Mg2+ > NTO-Li+ > NTO-Na+ > NTO monomer. The enhancement of the trigger bond dissociation energy in comparison with the NTO monomer correlates well with the complex interaction energies, trigger bond length, and charge transfer. The analyses of electron density shifts have shown that the electron density of the nitro group shifts toward the C1–N6 trigger bond upon the formation of the supramolecular interaction. As result, the trigger bond is strengthened and the sensitivity of NTO is reduced. Some of the calculated results agree with the experimental values.
(MOLECULAR MODELING BASED ON AB INITIO METHOD FOR ANTI CORROSION COMPOUND PHENYL-PHYRAZOLINDOLE DERIVATIVES) Hamdiani, Saprini; Hadisaputra, Saprizal
Jurnal Lembaga Penelitian Universitas Mataram Vol 18, No 2 (2014): Jurnal Penelitian
Publisher : Jurnal Lembaga Penelitian Universitas Mataram

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A molecular modeling has been carried out on the phenyl-phyrazolindole derivatives as anti-corrosion by ab initio methods at the HF/DZV level of theory. Quantum-chemical parameters for anti-corrosion compounds such as orbital energies (EHOMO and ELUMO), ionization potential (I), electron affinity (A) and electronegativity (χ) has a linear relationship with the anti-corrosion efficiency (IE%). The substituent changes on the anti-corrosion compound causes the enhancement of anti-corrosion eficiency. The 1NH2-PI compound has the highest anti-corrosion efficiency of 83.12%. This value is better than the phenyl- phyrazolindole (PI) which has anti-corrosion efficiency of 79.30%. This theoretical study will have a major contribution in helping the design and synthesis of novel anti-corrosion compound that has a higher efficiency
Mixed Langmuir-Blodgett Films of Cu-3,5-bistetrabutyl phenylporphyrin, arachidate acid and hexatriacontane in ordinary environment: A UV Visible Study Hadisaputra, Saprizal
Jurnal PIJAR Vol 4, No 1 (2009)
Publisher : Jurnal PIJAR

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                                                ABSTRACTThe study of mixed Langmuir-Blodgett Films multilayer was conducted in ordinary experiment conditions by using metallo-porphyrin derivative (3,5-bistetrabutyl-phenylporphyrin with Cu as central metal) and arachidate acid with and without trigger molecule, hexatriacontane. We demonstrated that the mixed multilayer which consist of 4, 20 and 40 layers for each mixed solution (molar ratio porphyrin : arachidic acid : hexatriancontane, 1,5 : 10 : r, where r is 0, 0.5) successfully transfers into glass plates as Langmuir-Blodgett Films and characterized the transferred films using UV visible spectroscopy. The area per monolayer porphyrin molecule is approximately 15-21 Å2. The first mixed solution (porhyrin: arachidic acid) produced good multilayer while the second mixed solution (porphyrin : arachidic acid : trigger molecule, hexatriancontane) did not produce 20 and 40 layers as it was expected. Some possible problems such as cleanliness, isotherms condition and compression speed of forming multilayer will be discussed. Key words: Langmuir-Blodgett Films, multilayer, Cu-3,5-bistetrabutyl phenylporphyrin, UV  visible spectroscopy.ABSTRAK Telah dilakukan studi terhadap multilapis film Langmuir-Blodgett pada kondisi eksperimen sehari-hari menggunakan campuran Cu-3,5-bistetra-butil fenilporpirin, asam arakidat dengan dan atau tanpa inisiator, heksatriakantone. Campuran multilapis film (perbandingan molar porpirin : asam arachidic : heksatriakantone, 1,5 : 10, r, dimana r = 0, 0,5)  terdiri dari 4, 20 dan 40 lapis berhasil di transfer ke atas kaca preparat sebagai Langmuir-Blodgett film dan dilakukan karakterisasi dengan spektroskopi sinar tampak (UV-visible spectroscopy). Luas daerah per molekul porpirin adalah15-21 Å2. Campuran pertama (porpirin : asam arakidat) memberikan multilapis yang baik, sedangkan campuran dengan adanya inisiator tidak menghasilkan 20 dan 40 lapisan seperti prediksi. Beberapa kemungkinan penyebab hasil tidak optimum seperti tingkat kebersihan (cleanliness), kondisi isotermal dan kecepatan kompresi saat pembentukan multilapis film akan di bahas Kata-kata kunci: Langmuir-Blodgett Films, multilapis, Cu-3,5-bistetrabutyl-phenylporphyrin, spektroskopi sinar tampak.
HYPERCHEM 6.0:PENDEKATAN KOMPUTASI KIMIA UNTUK IDENTIFIKASI ISOMER SENYAWA TURUNAN BENZOFURAN Hadisaputra, Saprizal
Jurnal PIJAR Vol 1, No 2 (2006)
Publisher : Jurnal PIJAR

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Telah dilakukan identifikasi isomer struktur senyawa turunan benzofuran, 3-fenil-4. metilbenzofuran dan 3-fenil-6-metilbenzofuran menggunakan program aplikasi Kimia Hyperchem 6.0 berdasarkan hasil kromatoram Gas Kromatografi-Spektrometri Massa (GCMS). Kromatogram hasil di ambil pada kondisi kolom nonpolar CP Sil 5CP. Langkah identifikasi isomer ini adalah menggambarkan struktur isomer pada Hyperchem, melakukan Optimasi Geometri parameter Semi-empirik AM I dengan limit konfergensi = 0,01, menghitung momen dwikutub berdasarkan QSPR (Qualitative Structure and Property Relationship) dilanjutkan dengan identifikasi isomer. Dari perhitungan Hyperchem diperoleh momen dwikutub senyawa 3-fenil-6. metilbenzofuran adalah 0,666 Debye dan senyawa 3-fenil-4-metilbenzofuran adalah 0,882 Debye. Hasil perhitungan momen dwikutub ini mengidentifikasikan bahwa puncak pertama pada kromatogram adalah senyawa 3-fenil-4-metilbenzofuran dan puncak kedua adalah 3-fenil-6-metilbenzofuran.
Expression of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B in Escherichia coli and Its Recovery from Inclusion Body Savalas, Lalu Rudyat Telly; Sedijani, Prapti; Hadisaputra, Saprizal; Ardhuha, Jannatin; Lestari, Chomsa Asih; Wahidah, Etty Nurul
Biosaintifika: Journal of Biology & Biology Education Vol 9, No 3 (2017): December 2017
Publisher : Department of Biology, Faculty of Mathematics and Sciences, Semarang State University . Ro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/biosaintifika.v9i3.12384

Abstract

The present study aims at expressing and partially purifying PtpB in active form. To achieve this, Mtb PtpB gene has been cloned into pET30a vector and overexpressed in Escherichia coli BL 21(DE3) under IPTG induction in the form of an inclusion body. Following resolubilization by urea and dialysis, the resulted PtpB has been shown to be active against para-Nitrophenyl phosphate. It is concluded that the resulted PtpB has had been recovered from inclusion body to give the active form of the enzyme, and thus the success in overexpressing PtpB provides the required material to investigate the biochemical properties of the pathogen virulence factor further.
Design New Compound of Meisoindigo Derivative as Anti Breast Cancer Based on QSAR Approach Ananto, Agus Dwi; Muliasari, Handa; Hadisaputra, Saprizal
Jurnal Kimia Sains dan Aplikasi Vol 23, No 9 (2020): Volume 23 Issue 9 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.23.9.305-311

Abstract

Design new compounds of Meisoindigo using the QSAR approach with semiempirical methods have been successfully made with better biological activity as anti-breast cancer results. The research method used to design the new compound of meisoindigo derivatives uses the semiempirical methods. The research procedure divide into tree step, molecular modeling, QSAR equation analysis, and design of new compounds. The PM3 method was chosen as a better method because it has model results that are more representative of physicochemical aspects. The selection of the best model is made by multilinear regression statistical analysis. New compounds derived from the design are expected to bind to the Cyclin-Dependent Kinase 4 (CDK4) enzyme that helps in the cell cycle to prevent cell division. Based on the design, the compound of (E)-2-(2-oxo-1-(2-(trifluoromethyl) benzyl)indolin-3-ylidene)-N-(quinoline-7-yl) acetamide choose as a new compound with more better biological activity (log 1/IC50 = 6.992) than before (log 1/IC50 = 5.823)
UPAYA MENINGKATKAN SIKAP PEDULI LINGKUNGAN, RELIGIUS DAN KREATIF MELALUI PROGRAM RUMAH BELAJAR PINTAR Rinjani, Nazla Putri; Ismi, Baiq Robi’atul; Ihwani, Baiq Alfifatul; Yusni, Wahyudi; Iliana, Hezi Septi; Arliani, Baiq Sopian; Hadisaputra, Saprizal; Zuhdi, Muhammad; Astini, Baiq Nilawati; Makhrus, Muh.; Verawati, Ni Nyoman Sri Putu; Hamidsyukrie, Hamidsyukrie
Jurnal Ilmiah Abdi Mas TPB Unram Vol 3, No 2 (2021): Edisi Juli 2021
Publisher : Fakultas Teknologi Pangan dan Agroindustri, Universitas Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/amtpb.v3i2.61

Abstract

Permasalahan utama saat ini yaitu kurang efektifnya kegiatan pembelajaran baik pembelajaran akademik maupun non akademik terutama di sekolah akibat dari Pandemi Covid-19, perubahan sikap dan perilaku anak yang tidak sesuai dengan umurnya, kurang berkembangnya kreatifitas anak, kebiasaan peserta didik (anak-anak) yang semakin candu terhadap gadget sehingga menggerus kebiasaan anak yang biasanya senang bersosialisasi dengan teman-teman seusianya. Keadaan ini memerlukan adanya penanaman nilai-nilai atau sikap peduli, religius dan kreatifitas anak secara efektif dan transformatif. Maka dari itudilakukan program Rumah Belajar Pintarguna Meningkatkan Sikap Peduli Lingkungan, Religius, dan Kreatif di Dusun Inen Selao (Repok Waru), Desa Rarang, Kecamatan Terara. Adapunmetode pelaksanaan kegiatan yang dilakukan yaitu: 1) tahap perencanaan yang mana mahasiswa akan melakukan kegiatan sosialisasi ke masyarakat mengenaii pentingnya pendidikan, sehingga diharapkan masyarakat akan termotivasi dalam meningkatkan kualitas pendidikan.; 2) tahap pelaksanaan yang mana pada tahap pelaksanaan ini, mahasiswa akan menguji keandalan karya media serta modul pembelajaran yang telah dibuat, dapat dinilai dari aktifnya anak-anak dalam mengikuti proses pembelajara.; 3) tahap evalusi, pada tahap evaluasi ini, mahasiswa akan melihat dan mengukur sejauh mana tingkat keberhasilan dari Program Rumah Belajar Pintar yang telah berjalan melalui berbagai kegiatan lomba yang harus diikuti oleh anak-anak. Adapun berdasarkan hasil kegiatan yang dilakukan, diperoleh kesimpulan yaitu meningkatnya sikap peduli lingkungan, religius, dan berkembangnya kreativitas pada anak-anak di Dusun Inen Selao, Desa Rarang, Kecamatan Terara.Kata Kunci: Peduli Lingkungan, Religius, Kreatif, Rumah Belajar Pint
Expression of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B in Escherichia coli and Its Recovery from Inclusion Body Savalas, Lalu Rudyat Telly; Sedijani, Prapti; Hadisaputra, Saprizal; Ardhuha, Jannatin; Lestari, Chomsa Asih; Wahidah, Etty Nurul
Biosaintifika: Journal of Biology & Biology Education Vol 9, No 3 (2017): December 2017
Publisher : Department of Biology, Faculty of Mathematics and Sciences, Semarang State University . Ro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/biosaintifika.v9i3.12384

Abstract

The present study aims at expressing and partially purifying PtpB in active form. To achieve this, Mtb PtpB gene has been cloned into pET30a vector and overexpressed in Escherichia coli BL 21(DE3) under IPTG induction in the form of an inclusion body. Following resolubilization by urea and dialysis, the resulted PtpB has been shown to be active against para-Nitrophenyl phosphate.  It is concluded that the resulted PtpB has had been recovered from inclusion body to give the active form of the enzyme, and thus the success in overexpressing PtpB provides the required material to investigate the biochemical properties of the pathogen virulence factor further.