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"This volume is a collection of the contributions presented at the 42nd Erice Crystallographic Course whose main objective was to train the younger generation on advanced methods and techniques for examining structural and dynamic aspects of biological macromolecules. The papers review the techniques used to study protein assemblies and their dynamics, including X-ray diffraction and scattering, electron cryo-electron microscopy, electro nanospray mass spectrometry, NMR, protein docking and molecular dynamics. A key theme throughout the book is the dependence of modern structural science on multiple experimental and computational techniques."

"Ligan 4'-(p-nitrophenyl)-2,2':6',2'-terpyridine telah berhasil disintesis melalui metode Kröhnke yaitu mekanisme kondensasi aldol. Hasil yang diperoleh berupa endapan berwarna cokelat dengan persen yield sebesar 40%. Karakterisasi dilakukan menggunakan spektrometer NMR, Spektofotometer IR, elemental analisis, dan Spektofotometer UV-Visibel. Ligan selanjutnya dikomplekskan dengan ion logam transisi (M=Fe, Ni, Cu dan Zn) membentuk senyawa kompleks [M(4'-(pnitrophenyl)-2,2':6',2'-terpyridine)(NO3)2]. Hal ini didukung berdasarkan data UVVisibel pada senyawa kompleks dimana terdapat puncak serapan baru bada panjang gelombang 220 nm-230 nm yang menunjukkan logam sudah berikatan dengan ligan. Aplikasi ligan 4'-(p-nitrophenyl)-2,2':6',2'-terpyridine dan kompleks sebagai fluorosensor dilakukan dengan menggunakan spektrofluorometer. Berdasarkan hasil spektrofluorometer penambahan ion Na+ pada ligan dan senyawa kompleks Fe, Ni, Cu, dan Zn mengakibatkan perubahan intensitas fluorosensi. Hasil studi menunjukkan bahwa ligan dan kompleks Fe dan Ni dapat dijadikan fluorosensor tipe on-off untuk ion Na+, karena dengan penambahan ion logam Na+ menyebabkan penurunan intensitas fluorosensi dan pergeseran puncak emisi maksimum pada ligan dan kompleks, sedangkan untuk kompleks Zn dan Cu dapat dijadikan fluorosensor tipe off-on untuk ion Na+, karena dengan penambahan ion logam Na+ menyebabkan peningkatan intensitas fluorosensi dan pergeseran puncak emisi maksimum kompleks.

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Ligand 4'-(p-nitrophenyl)-2,2':6',2'-terpyridine has been synthesized using Khronke method by aldol condensation reaction. The solid brown precipitate was collected and giving 40 %yield. The ligand has been characterized by H-NMR spectrometer, FTIR, elemental analyzer, UV-Vis spectrometer, and UV-DRS spectrometer. Further more, complex compounds of this ligand with transition metal [M=Fe, Cu, and Zn] to gave complex compounds [M(4'-(p-nitrophenyl)-2,2':6',2'-terpyridine)(NO3)2]. The complex compounds has been indicated by UV-Vis data. The data absorbance gave new peaks fluorosensor at wavelength 232, 236, and 239 nm. The application of ligand 4'-(p-nitrophenyl)-2,2':6',2'-terpyridine and complex compounds as fluoresensor material for ion Na+ were determined by spectrofluoremeter.

The results showed that the addition of sodium metal ion into ligand and complex compounds of Fe, Ni, Cu, and Zn changed the fluorescens intensity. We found that the complex Fe and Ni compounds worked as fluoresensor type on-off for sodium metal. The maximum peak emission of ligand and its compounds had been shifted and the fluoresens intensities were decreased, the complex Cu and Zn compounds showed fluoresensors type off-on for sodium metal ion. The beased on the shifts of their peak emission maximum and their increasing fluoresens intensities."

"Copper(II) and nickel(II) complexes of 14-membered hexaazamacrocyclic ligand with C-methyl substituent have been synthesized by one-pot reaction and characterized by elemental analyses, FT-IR, electronic spectra, and LC-MS. Complex types are [Cu(C18H42N6)(ClO4)2] (1), [Ni(C18H42N6)](ClO4)2 (2), and [Cu(C22H50N6)(ClO4)2] (3). The results of spectroscopic techniques indicated that both complexes 1 and 3 containing copper(II) are octahedral geometry, whereas the complex 2 is a square-planar geometry in which the metal center coordinates to the four nitrogen atoms of macrocyclic ligand in a square planar fashion.All complexes were also screened for their antibacterial activity against on two bacteria strains. These results show that copper(II) and nickel(II) complexes were tested for antibacterial activity against gram positive, Staphylococcus aureus which was more active than the against gram negative, bacteria Escherichia coli.The results showed a good antibacterial activity of all complexes which suggests their potential applications as antibacterial agents."

"Mengurangi emisi CO2 dan konsentrasi gas rumah kaca di atmosfer merupakan hal yang harus diperhatikan dalam mengatasi permasalahan pemanasan global. Salah satu metode untuk mengurangi emisi CO2 adalah penerapan teknologi penangkap dan penyimpan CO2. Dalam pengembangan teknologi ini, penelitian mengenai material yang memiliki kemampuan penyerapan gas dengan biaya rendah terus dilakukan. Material berpori baru, metal-organic framework (MOF) yang mengandung ion metal dan ligand organik menjadi salah satu tipe adsorben yang menjanjikan dan terus dikembangkan. Sintesis dilakukan dengan reaksi hidrothermal. Karakteristik pori MOF hasil sintesis diukur menggunakan metode karakterisasi BET, FTIR, dan XRD. Studi literatur juga dilakukan untuk kemudian memprediksi dan mengoptimasi kapasitas penyerapan CO2, panas adsorpsi, dan selektivitas dari beberapa MOF yang ada pada literatur tersebut.

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Reducing CO2 emissions and greenhouse gas concentrations is a major concern for overcoming the problem of global warming. One method to reduce CO2 emissions is to implement carbon dioxide capture and storage. In addition to develop the technology, investigations on materials that have high gas separation performance and low costs have also been carried out. A new porous crystal material, metal-organic framework (MOF), which consists of metal ions and organic ligands in recent years as a promising type of adsorbent has emerged. Synthesis is carried out through the hydrothermal reaction method. Pore properties of MOF are measured by various characterization method, BET, FTIR, and XRD. Literature study is carried to predict and optimize the adsorption capacity, heat of adsorption, and selectivity of MOFs in the literature."

"Mengurangi emisi CO2 dan konsentrasi gas rumah kaca di atmosfer merupakan hal yang harus diperhatikan dalam mengatasi permasalahan pemanasan global. Salah satu metode untuk mengurangi emisi CO2 adalah penerapan teknologi penangkap dan penyimpan CO2. Dalam pengembangan teknologi ini, penelitian mengenai material yang memiliki kemampuan penyerapan gas dengan biaya rendah terus dilakukan. Material berpori baru, metal-organic framework (MOF) yang mengandung ion metal dan ligand organik menjadi salah satu tipe adsorben yang menjanjikan dan terus dikembangkan. Sintesis dilakukan dengan reaksi hidrothermal. Karakteristik pori MOF hasil sintesis diukur menggunakan metode karakterisasi BET, FTIR, dan XRD. Studi literatur juga dilakukan untuk kemudian memprediksi dan mengoptimasi kapasitas penyerapan CO2, panas adsorpsi, dan selektivitas dari beberapa MOF yang ada pada literatur tersebut.

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Reducing CO2 emissions and greenhouse gas concentrations is a major concern for overcoming the problem of global warming. One method to reduce CO2 emissions is to implement carbon dioxide capture and storage. In addition to develop the technology, investigations on materials that have high gas separation performance and low costs have also been carried out. A new porous crystal material, metal-organic framework (MOF), which consists of metal ions and organic ligands in recent years as a promising type of adsorbent has emerged. Synthesis is carried out through the hydrothermal reaction method. Pore properties of MOF are measured by various characterization method, BET, FTIR, and XRD. Literature study is carried to predict and optimize the adsorption capacity, heat of adsorption, and selectivity of MOFs in the literature."

"In an attempt to synthesize [BzMe3N]2Mo2O5(OMe)5 from the reaction of [BzMe3N]2MoO4 and MoO(OMe)4 in theratio of 1:1 in methanol has produced [BzMe3N]2Mo4O10(OMe)6. The formation of [Mo4O10(OMe)6]2- anionsuggests that ligand dissociation has occured in solution. Suitable crystals for X-ray chrystallographic were obtainedfrom hot methanol and the crystal structure of [BzMe3N]2Mo4O10(OMe)6 has been solved and reported here in."

"ABSTRAK Samarium-Metal Organic Frameworks (Sm-MOFs) berhasil disintesis mengunakan metoda solvotermal berbasis ligan 2,6-naftalendikarboksilat (2,6-NDC) sebagai linker dan ion logam samarium (Sm3+) sebagai pusat kluster. Struktur ligan 2,6-NDC yang kaku dan kemampuan logam samarium dalam membentuk bilangan koordinasi tinggi dimanfaatkan untuk memperoleh disain MOFs yang memiliki kerangka koordinasi dengan luas permukaan yang besar. Dalam penelitian ini, dilakukan variasi sintesis Sm-MOFs melalui parameter suhu, perbandingan mol reaktan dan nilai pH. Tidak adanya serapan pada bilangan gelombang 1700cm-1 sebagai vibrasi ulur v(C=O) untuk 2,6-NDC, mengindikasi telah terjadinya deprotonasi ligan pada gugus (O-H) karboksilat, sehingga atom oksigen dari ligan dapat berkoordinasi dengan ion logam samarium. Hal ini menandakan Sm-MOFs telah berhasil terbentuk. Intensitas puncak difraksi yang kuat dan tajam mengindikasi kristalinitas Sm-MOFs yang cukup tinggi. Sm-MOFs yang disintesis pada pH 9 memiliki ukuran partikel yang lebih kecil dibadingkan pH 4, sehingga memiliki luas permukaan yang lebih besar yakni 107m2/g. Energi celah pita dihitung dengan mengunakan teori Kubelka-Munk, secara berurutan diperoleh untuk pH 4,7 dan 9 sebesar 3,1, 3,4 dan 3,42eV. Data siklik voltametri menunjukan nilai potensial reduksi Sm-MOFs pH 4 diperoleh sebesar -2,1volt dan potensial oksidasinya sebesar 0,6volt. Berdasarkan analisis yang telah dilakukan, material ini berpotensi sebagai material semikonduktor dalam fotokatalis degradasi metilen biru, dimana Sm-MOFs pH 4 dalam waktu 240menit mampu mendegradasi metilen biru sebesar 68,6%, sedangkan Sm-MOFs pH 9 mampu mendegradasi sebesar 87,6%.

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ABSTRACT

Samarium-Metal Organic Frameworks (Sm-MOFs) have been successfully synthesized based on 2,6-naphthalenedicarboxylic acid ligand (2,6-NDC) and ion samarium (Sm3+) as metal linkers using solvothermal methods. Rigidity 2.6-NDC structure and the ability of the samarium metal forming high coordination numbers are utilized to obtain the MOF disain has a coordination framework with a large surface area. In this study, parameters variations in the synthesis of Sm-MOFs were carried out through temperature, mol of reactants and pH. The absence of absorption at wave number 1700cm-1 as vibration stretching v(C = O) from 2.6-NDC, indicates that there has been deprotonation of the ligand on the carboxylic group, the oxygen atom from ligand can coordinate with the samarium metal ion. This indicates that Sm-MOFs has been successfully formed. Peak intensity of strong and sharp from x-ray diffraction indicates the high crystallinity of Sm-MOFs. Sm-MOFs synthesized at pH 9 have a smaller particle size compared to pH 4, it has a larger surface area of 107m2/g. Band gap energy was calculated using the Kubelka-Munk theory, sequentially obtained for pH 4, 7 and 9 of 3,1 ; 3,4 and 3,42eV. Cyclic voltammetry data shows that the value of Sm-MOFs reduction potential pH 4 is obtained -2,1volt and oxidation potential is 0,6volt. Based on the analysis data, this material has the potential as a semiconductor for photocatalysts methylene blue degradation, where Sm-MOFs pH 4 in 240minutes can degradation methylene blue by 68,6%, while Sm-MOFs pH 9 can degrade 87,6%."

"This volume focuses on the roles of various peptide signaling molecules in development, defence and homeostasis. As it is likely that further plant peptide signaling molecules remain to be discovered, the last section takes a practical look at methods to identify new peptides and characterise their functions."