Relevant bibliographies by topics / Ligaen

Academic literature on the topic 'Ligaen'

Author: Grafiati
Published: 25 July 2024
Last updated: 31 July 2024

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Journal articles on the topic "Ligaen"

1

Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sintesis Ligan Dibutilditiokarbamat (DBDTK) Sebagai Pengekstrak Logam Tanah Jarang Berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 1 (February 15, 2018): 195. http://dx.doi.org/10.20961/alchemy.14.1.15006.195-203.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat hasil sintesis. Penelitian ini diawali dengan pembuatan desain eksperimen untuk sintesis ligan dan ekstraksi Gd(III) dengan ligan, kemudian proses sintesis dan ekstraksi dilakukan sesuai dengan desain eksperimen, hasil sintesis dan ekstraksi dikarakterisasi menggunakan metode spektroskopi serta diuji kelarutannya dalam pelarut organik. Data yang diperoleh menunjukkan bahwa sintesis ligan dibutilditiokarbamat optimal pada suhu 4 °C, perbandingan dibutilamin dan karbondisulfida yaitu 1 : 3 dengan perbandingan mol ammonia terhadap dibutilamin yaitu 1 : 4, sedangkan kondisi optimal untuk ekstraksi Gd(III) dengan ligan yaitu pada pH 6, dengan perbandingan mol Gd(III) dan ligan yaitu 1 : 4 dan lama ekstraksi 60 menit. Oleh karena itu ligan dibutilditiokarbamat hasil sintesis berpotensi digunakan sebagai ekstraktan untuk ekstraksi Gd(III). Hasil prediksi ligan berdasarkan desain eksperimen yaitu sebesar 56,12% sedangkan prediksi ekstraksi Gd(III) dengan ligan hasil sintesis diperoleh sebesar 78,41%. Kesimpulan dari penelitian ini bahwa sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dapat dikembangkan untuk sintesis skala besar.</p><p>Gadolinium (Gd) is one of the rare-earth elements, whereas rare-earth elements can be extracted from monazite. Gd is usually used as raw material for synthesizing contrast agent<em> </em>in medicine field. Dibuthyldithiocarbamate ligand can form a complex compound with metal. This ligand will bind a metal and then forming chelate which is used for extraction. The purpose of this research is to ensure procedure of dibuthyldithiocarbamate ligand synthesis based on the design of experiment and to study the characterization of reaction result between Gd(III) and dibuthyldithiocarbamate ligand which this ligand is synthesis result. This research begins with making design of experiment for ligand synthesis and Gd(III) extraction with ligand, then perform the process of synthesis and extraction according to the design of experiment, the result of synthesis and extraction were characterized by spectroscopy method and solubility tested in organic solvent. The data was collected indicate that the optimal condition of dibuthyldithiocarbamate ligan synthesis at 4 °C (temperature), the ratio of di-n-butylamine and carbon disulphide is 1:3 with the mole ratio of ammonia to the di-n-butylamine 1:4, while the optimal conditions for gadolinium extraction with ligand at pH 6, the mol ratio of gadolinium and ligand is 1:4 and 60 minutes extraction time. Hence, dibuthyldithiocarbamate ligand can be used as extractan for extracting Gd(III). The prediction of ligand based on the experimental design is 56.12% while the prediction of Gd(III) extraction with ligand of the synthesis result is obtained equal to 78.41%. The conclusion of this research is that the synthesis of dibuthyldithiocarbamate ligand based on the experimental design can be developed for large-scale synthesis.</p>
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2

Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sistesis Ligan Dibutilditiokarbamat (DBDTK) sebagai Pengekstrak Logam Tanah Jarang berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 1 (February 15, 2018): 84. http://dx.doi.org/10.20961/alchemy.14.1.15006.84-99.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat hasil sintesis. Penelitian ini diawali dengan pembuatan desain eksperimen untuk sintesis ligan dan ekstraksi Gd(III) dengan ligan, kemudian proses sintesis dan ekstraksi dilakukan sesuai dengan desain eksperimen, hasil sintesis dan ekstraksi dikarakterisasi menggunakan metode spektroskopi serta diuji kelarutannya dalam pelarut organik. Data yang diperoleh menunjukkan bahwa sintesis ligan dibutilditiokarbamat optimal pada suhu 4 °C, perbandingan dibutilamin dan karbondisulfida yaitu 1:3 dengan perbandingan mol ammonia terhadap dibutilamin yaitu 1:4, sedangkan kondisi optimal untuk ekstraksi Gd(III) dengan ligan yaitu pada pH 6, dengan perbandingan mol Gd(III) dan ligan yaitu 1:4 dan lama ekstraksi 60 menit. Oleh karena itu ligan dibutilditiokarbamat hasil sintesis berpotensi digunakan sebagai ekstraktan untuk ekstraksi Gd(III). Hasil prediksi ligan berdasarkan desain eksperimen yaitu sebesar 56,12 % sedangkan prediksi ekstraksi Gd(III) dengan ligan hasil sintesis diperoleh sebesar 78,41 %. Kesimpulan dari penelitian ini bahwa sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dapat dikembangkan untuk sintesis skala besar.</p><p>Gadolinium (Gd) is one of the rare-earth elements, whereas rare-earth elements can be extracted from monazite. Gd is usually used as raw material for synthesizing contrast agent<em> </em>in medicine field. Dibuthyldithiocarbamate ligand can form a complex compound with metal. This ligand will bind a metal and then forming chelate which is used for extraction. The purpose of this research is to ensure procedure of dibuthyldithiocarbamate ligand synthesis based on the design of experiment and to study the characterization of reaction result between Gd(III) and dibuthyldithiocarbamate ligand which this ligand is synthesis result. This research begins with making design of experiment for ligand synthesis and Gd(III) extraction with ligand, then perform the process of synthesis and extraction according to the design of experiment, the result of synthesis and extraction were characterized by spectroscopy method and solubility tested in organic solvent. The data was collected indicate that the optimal condition of dibuthyldithiocarbamate ligan synthesis at 4 °C (temperature), the ratio of di-n-butylamine and carbon disulphide is 1:3 with the mole ratio of ammonia to the di-n-butylamine 1:4, while the optimal conditions for gadolinium extraction with ligand at pH 6, the mol ratio of gadolinium and ligand is 1:4 and 60 minutes extraction time. Hence, dibuthyldithiocarbamate ligand can be used as extractan for extracting Gd(III). The prediction of ligand based on the experimental design is 56.12 % while the prediction of Gd(III) extraction with ligand of the synthesis result is obtained equal to 78.41 %. The conclusion of this research is that the synthesis of dibuthyldithiocarbamate ligand based on the experimental design can be developed for large-scale synthesis.</p>
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3

Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sintesis Ligan Dibutilditiokarbamat (DBDTK) Sebagai Pengekstrak Logam Tanah Jarang Berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 2 (September 3, 2018): 219. http://dx.doi.org/10.20961/alchemy.14.2.15006.219-235.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat hasil sintesis. Penelitian ini diawali dengan pembuatan desain eksperimen untuk sintesis ligan dan ekstraksi Gd(III) dengan ligan, kemudian proses sintesis dan ekstraksi dilakukan sesuai dengan desain eksperimen, hasil sintesis dan ekstraksi dikarakterisasi menggunakan metode spektroskopi serta diuji kelarutannya dalam pelarut organik. Data yang diperoleh menunjukkan bahwa sintesis ligan dibutilditiokarbamat optimal pada suhu 4 °C, perbandingan dibutilamin dan karbondisulfida yaitu 1 : 3 dengan perbandingan mol ammonia terhadap dibutilamin yaitu 1 : 4, sedangkan kondisi optimal untuk ekstraksi Gd(III) dengan ligan yaitu pada pH 6, dengan perbandingan mol Gd(III) dan ligan yaitu 1 : 4 dan lama ekstraksi 60 menit. Oleh karena itu ligan dibutilditiokarbamat hasil sintesis berpotensi digunakan sebagai ekstraktan untuk ekstraksi Gd(III). Hasil prediksi ligan berdasarkan desain eksperimen yaitu sebesar 56,12% sedangkan prediksi ekstraksi Gd(III) dengan ligan hasil sintesis diperoleh sebesar 78,41%.</p><p><strong>The Consolidation of Dibutyldithiocarbamate (DBDTC) Synthesis as Gadolinium Metal Extraction Based On Experimental Design. </strong>Gadolinium (Gd) is one of the rare-earth elements, whereas rare-earth elements can be extracted from monazite. Gd is usually used as raw material for synthesizing contrast agent<em> </em>in medicine field. Dibuthyldithiocarbamate ligand can form a complex compound with metal. This ligand will bind a metal and then forming chelate which is used for extraction. The purpose of this research is to ensure procedure of dibuthyldithiocarbamate ligand synthesis based on the design of experiment and to study the characterization of reaction result between Gd(III) and dibuthyldithiocarbamate ligand which this ligand is synthesis result. This research begins with making design of experiment for ligand synthesis and Gd(III) extraction with ligand, then perform the process of synthesis and extraction according to the design of experiment, the result of synthesis and extraction were characterized by spectroscopy method and solubility tested in organic solvent. The data was collected indicate that the optimal condition of dibuthyldithiocarbamate ligan synthesis at 4 °C (temperature), the ratio of di-n-butylamine and carbon disulphide is 1:3 with the mole ratio of ammonia to the di-n-butylamine 1:4, while the optimal conditions for gadolinium extraction with ligand at pH 6, the mol ratio of gadolinium and ligand is 1:4 and 60 minutes extraction time. Hence, dibuthyldithiocarbamate ligand can be used as extractan for extracting Gd(III). The prediction of ligand based on the experimental design is 56.12% while the prediction of Gd(III) extraction with ligand of the synthesis result is obtained equal to 78.41%. The conclusion of this research is that the synthesis of dibuthyldithiocarbamate ligand based on the experimental design can be developed for large-scale synthesis.</p>
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4

Aziz, Fitri Kusvila, Cantika Nukitasari, Fauziyah Ardli Oktavianingrum, Lita Windy Aryati, and Broto Santoso. "Hasil In Silico Senyawa Z12501572, Z00321025, SCB5631028 dan SCB13970547 dibandingkan Turunan Zerumbon terhadap Human Liver Glycogen Phosphorylase (1l5Q) sebagai Antidiabetes." Jurnal Kimia VALENSI 2, no. 2 (November 30, 2016): 120–24. http://dx.doi.org/10.15408/jkv.v2i2.4170.

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Abstrak Human Liver Glycogen Phosphorylase (HLGP), suatu katalis glikogen yang mengontrol pelepasan glukosa-1-fosfat glikogen dari hati. Enzim ini mempunyai peran sentral dalam luaran glukosa hati sehingga menjadi target obat antidiabetik. Kajian docking dilakukan pada komputer dengan prosesor Intel Pentium, RAM 1 GB dan Windows 7. Ligan yang digunakan adalah senyawa obat (Z12501572, Z00321025, SCB5631028 dan SCB13970547), dataset pembanding aktif glycogen phosphorylase outer dimer site (PYGL-out) dan decoysdari www.dekois.com dan turunan zerumbon. Protein dipisahkan dari ligan nativ dan semua ligan beserta protein dikonversi menggunakan PyRx. Visualisasi interaksi ligan-protein dihasilkan dengan program Protein-Ligand Interaction Profiler (PLIP) dan PyMOL. Senyawa ZER11 memiliki binding energy terbaik, yaitu -7.11 kkal/mol (untuk metode LGA dan GA) dan -4.08 kkal/mol untuk metode SA. Nilai binding energy tersebut lebih rendah dari pada nilai untuk ligan native dan satu dari keempat senyawa obat, terlebih jika dibandingkan dengan bindingaffinity dari dataset dan decoys. Interaksi ligan-protein pada ketiga metode tersebut ditemukan sangat bervariasi. Hal berbeda terjadi untuk metode Vina, bindingenergy ZER11 (-9.9 kkal/mol) lebih baik dibandingkan dengan ligan native dan keempat senyawa obat. Senyawa ZER11 memiliki residu interaksi yang sama dengan ligan native pada TRP67 dan LYS191 untuk metode Vina. Kata kunci: PDBID-1L5Q, AutoDock, docking molekuler, vina, antidiabetes Abstract Human Liver Glycogen Phosphorylase (HLGP) can catalyze glycogen and control the release of glucose-1-phosphate of glycogen from the liver. This enzyme has a central role in output rule of liver glucose as it can be used as an antidiabetic drug targets. Docking studies were carried out on PC with Intel Pentium, 1 GB RAM, in environment of Windows 7. Ligands used are drug compounds (Z12501572, Z00321025, SCB5631028 and SCB13970547), the active dataset comparator wasglycogenphosphorylase outer dimer site (PYGL-out) and decoys from www.dekois.com andzerumbonederivates. Protein was separated from its native ligand and all ligands including the protein were converted to pdbqt using PyRx. The interaction of protein-ligand was visualized using software of PLIP and PyMOL. Compound of ZER11 had the best binding energy were -7.11 kcal/mol (LGA and GA) and -4.08 kcal/mol (SA). The binding energy value was lower than the ligand native and one of the four drug compounds, especially compared with the binding affinity of dataset and decoys. Vice versa, for Vina method, the value of ligand binding protein for ZER11 (-9.9 kcal/mol) was better than the ligand native and all of the fourth drugcompounds. Vina result showed that ZER11 had the same residual interaction as the ligand native, which are TRP67 and LYS191. Keyword: PDBID-1L5Q, AutoDock, molecular docking, vina, antidiabetic DOI: http://dx.doi.org/10.15408/jkv.v0i0.4170
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5

Choirunisa, Farra, Wahyuni Wahyuni, and Halim Mardianto. "PENATALAKSANAAN FISIOTERAPI PADA POST OP ACLR : CASE REPORT." Journal of Innovation Research and Knowledge 3, no. 1 (June 18, 2023): 4811–16. http://dx.doi.org/10.53625/jirk.v3i1.5813.

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Latar Belakang: Cedera bisa terjadi pada bagian tubuh mana pun, termasuk knee joint. Pada knee joint, beberapa ligamen berfungsi untuk menstabilkan pergerakan lutut, salah satunya yaitu anterior cruciate ligament (ACL). Cedera ACL dapat terjadi akibat cedera lutut yang tiba-tiba ke segala arah yang mengakibatkan robeknya ligamen sebagian atau seluruhnya. Selain itu, Trauma juga dapat menyebabkan robeknya ligamen anterior, terutama trauma langsung pada lutut akibat gaya lateral. Apabila ACL mengalami robek total dianjurkan untuk melakukaan Anterior Cruciate Ligament Reconstruction (ACLR). Fase rehabilitasi ACLR ada beberapa fase yaitu Fase Pra-operasi, Fase 1, Fase 2, Fase 3, Fase 4, dan Fase 5. Tujuan: Mengetahui efektifitas exercise dalam penanganan kasus rehabilitasi post op. ACLR fase 4. Metode: Penelitian yang dilaksanakan di RSUD KRMT Wongsonegoro yang dilakukan pada bulan Januari 2023. Hasil dan Pembahasan: Alat ukur evaluasi yang digunakan dalam pengambilan data tersebut yaitu: Numeric Rating Scale (NRS); dan Spygmomanometer. Setelah diberikan intervensi fisioterapi berupa exercise selama 6 kali pertemuan. Dapat menurunkan tingkat nyeri dan meningkatkan kekuatan otot fleksor knee dan ekstensor knee responden. Kesimpulan: Pemberian intervensi Fisioterapi selama 6 kali pertemuan menunjukkan hasil akhir berupa penurunan nyeri, dan peningkatan kekuatan otot.
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Miao, Yinglong, Apurba Bhattarai, and Jinan Wang. "Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics." Journal of Chemical Theory and Computation 16, no. 9 (July 21, 2020): 5526–47. http://dx.doi.org/10.1021/acs.jctc.0c00395.

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Arifin, Ibrahim, Handini Widya Prameswari Sabandar, and Hari Purnomo. "Molecular Docking Senyawa Jambu Biji (Psidium guajava L.) terhadap Reseptor Estrogen Alfa Sebagai Model Kandidat Antikanker Payudara." Jurnal Ilmu Farmasi dan Farmasi Klinik, no. 1 (August 30, 2023): 19. http://dx.doi.org/10.31942/jiffk.v0i1.9379.

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Kanker payudara terjadi karena adanya ekspresi reseptor estrogen alfa (RE-α) yang berlebihan dan tingginya kadar estrogen. Penggunaan tamoksifen sebagai antagonis RE-α menimbulkan berbagai efek samping, sehingga perlu dikembangkan senyawa bahan alam yang berpotensi sebagai antikanker payudara. Penelitian ini bertujuan untuk mengetahui interaksi senyawa kuersetin dari daun jambu biji pada RE-α sebagai antikanker payudara berdasarkan molecular docking. Penelitian ini menggunakan metode molecular docking dengan ligan uji kuersetin dan ligan pembanding tamoksifen. Pengujian dilakukan terhadap RE-α dengan kode PDB: 1UOM, 2IOG, 2OUZ, 3ERT, dan 5FQR. Analisis data dilakukan dengan cara membandingkan skor docking antara ligan native, kuersetin, dan tamoksifen menggunakan software PLANTS dan Pymol. Hasil uji pada kelima kode PDB menunjukkan bahwa skor docking kuersetin lebih tinggi dibandingkan skor docking ligan native dan tamoksifen. Pada kode PDB 1UOM, skor docking kuersetin, ligand native dan tamoksifen berturut-turut -71,098; -133,407 dan -93,788. Meski demikian, kuersetin dapat berikatan dengan asam amino-asam amino yang terdapat pada RE-α yang diduga berperan dalam menghambat pertumbuhan sel kanker payudara.
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Bare, Yohanes, Mansur S, Sri Sulystyaningsih Natalia Daeng Tiring, Dewi Ratih Tirto Sari, and Andri Maulidi. "Virtual Screening: Prediksi potensi 8-shogaol terhadap c-Jun N-Terminal Kinase (JNK)." Jurnal Penelitian dan Pengkajian Ilmu Pendidikan: e-Saintika 4, no. 1 (March 5, 2020): 1. http://dx.doi.org/10.36312/e-saintika.v4i1.157.

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JNK adalah gen yang berperan dalam metabolisme DMT2. Dalam pengobatan T2DM digunakan JNK sebagai potensi terapi dengan menggunakan bahan alam. 8-shogaol adalah komponen kimia yang terkandung dalam jahe yang memiliki aktivitas antioksidan. Tujuan dari penelitina ini adalah menginversitagasi dan menganalisis peran 8-shogaol terhadap JNK. Protein JNK (ID: 464Y) diperoleh dari Protein Data Bank dan ligan 8-shogaol (CID:6442560 ) didapat dari pubchem. Ligan dan protein didocking menggunakan Hex 8.0.0. File dalam bentuk pdb divisualtisasi dan analisis menggunakan Discovery Studio Client 4.1 software. Interaksi ligan-protein menunjukan ikatan hidrogen pada residu asam amino LYS93 dan van der Waals pada 18 residu asam amino dengan energi ikatan-289.68cal/mol. Interkasi ini berpotensi sebagai penghambat kerja JNK dan dapat digunakan dalam terapi DMT2.Virtual screening: potential prediction of 8-shogaol againts c-Jun N-Terminal Kinase (JNK)AbstractJNK is one of gene that has a role in T2DM condition. To curve T2DM use JNK as potential healing using natural compounds. Eight-shogaol which found in ginger has function as a antioxidant.. The aim of the research is to investigate and analyze role 8-shogaol againts JNK. Protein JNK (ID: 464Y) was taken from Protein Data Bank and ligand 8-shogaol (CID:6442560 ) acquired from pubchem. Ligand and protein model were docked using Hex 8.0.0 software. Visualization and analysis molecular interactions by the Discovery Studio Client 4.1 software. Interaction ligand-protein showed one hydrogen bond in amino acid residue LYS93 and formed van der Waals in eighteen amino acid residues which energy binding -289.68cal/mol. This interaction has a potential to inhibit JNK role and lead to therapy T2DM.
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Nauli, Tigor. "PENENTUAN SISI AKTIF SELULASE ASPERGILLUS NIGER DENGAN DOCKING LIGAN." Jurnal Kimia Terapan Indonesia 16, no. 2 (December 10, 2014): 94–100. http://dx.doi.org/10.14203/jkti.v16i2.14.

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Letak dari sisi aktif selulase Aspergillus niger, yang akan menentukan aktivitas katalitiknya, dapat diketahui melalui komputasi. Sebuah ligan selobiosa dimodelkan untuk dapat melakukan simulasi docking pada molekul selulase yang telah diketahui struktur kristalnya. Melalui kalkulasi energi ikatan dan pendekatan optimasi memakai algoritma genetik Lamarckian, dapat dipilih konformasi molekul yang menunjukkan adanya daerah tertentu dengan energi terendah. Struktur yang memiliki daerah semacam ini dianggap mewakili konfigurasi terbaik terikatnya ligan pada sisi aktif yang dicari.Hasil perhitungan memperlihatkan bahwa tekukan protein yang membentuk celah konkaf diantara dua kelompok struktur b-sheet yang saling berlawanan arah pada molekul selulase merupakan sisi aktif dari enzim tersebut. Ligan dapat terikat disana melalui interaksi hidrofilik dengan residu asparagin (Asn20), serin (Ser111), dan glutamin (Gln158). Di salah satu ujung sisi aktif selulase terdapat residu aspartat (Asp99) dan glutamat (Glu116, Glu204) yang akan mempengaruhi aksi katalitik dari enzim selulase apabila residu-residu ini terikat oleh ion-ion divalen.Sisi aktif selulase ini merupakan gabungan dari domain pengikat substrat dan domain katalitik. Penambahan ion logam yang tepat pada sisi aktif enzim selulase Aspergillus niger dapat meningkatkan aktivitas spesifiknya.Kata kunci:docking, ligan, selulase, sisi ikatan, substrat The active site of cellulase from Aspergillus niger that affects the enzyme activity can be searched by computational methods. A ligand of cellobiose is modelled to perform docking simulation to cellulase with known crystal structure. By calculating the binding free energy and optimization approach using Lamarckian's genetic algorithm, a molecular conformation that has a region with the lowest energy value can be selected. The molecule structure with such region represents the best configuration of ligand bound to the active site.The calculation results that the concave cleft formed by protein folding of two anti-parallel b-sheet structures is the active site of the enzyme. A ligand would bind to the site through hydrophilic interactions with asparagine (Asn20), serine (Ser111), and glutamine (Gln158) residues. The aspartic acid (Asp99) and glutamic acid (Glu116, Glu204) residues that reside in one end of the active site determine the catalytic actions of the enzyme when they are binding with some metal ions.It is shown that the active site of this cellulase has substrate-binding domain and catalytic domain together. The introduction of specific metal ions to the active site of Asperillus niger cellulase will increase its specific activity.Keywords: binding site, cellulase, docking, ligand, substrate
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Koentjoro, Maharani Pertiwi, Adyan Donastin, and Endry Nugroho Prasetyo. "POTENSI SENYAWA BIOAKTIF TANAMAN KELOR PENGHAMBAT INTERAKSI ANGIOTENSIN-CONVERTING ENZYME 2 PADA SINDROMA SARS-COV-2." Jurnal Bioteknologi & Biosains Indonesia (JBBI) 7, no. 2 (December 29, 2020): 259–70. http://dx.doi.org/10.29122/jbbi.v7i2.4156.

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The Potential of Moringa oleifera Bioactive Compounds for Inhibiting Angiotensin-Converting Enzyme 2 Interaction in SARS-Cov-2 Syndrome Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) disease (COVID-19) is a threat to human health. This infection is determined by the interaction of the spike S1 domain protein with angiotensin-converting enzyme 2 (ACE2) in the epithelial cells of the respiratory tract, especially the lungs. ACE2 inhibition is an important target in controlling COVID-19. Flavonoids of medicinal plants, are known to interfere with ACE (ACE2 homologous). Therefore, this study aims to explore the ability of apiin, epicatechin, and hesperetin from Moringa oleifera in interacting with the ACE2 using MOE 2008.10. The ligand molecules were prepared from PubChem database. The ACE2 protein was retrieved from Protein Data Bank (ID 1R4L) and analyzed for the active sites. Analysis of docking scores and hydrogen bonds of ACE2-ligand complex and active site showed that the affinity of flavonoids can be ranked as hesperetin > epicatechin > apiin > C19H23Cl2N3O4. The results provided computational information that apiin, epicatechin, and hesperetin have the potential to prevent COVID-19 infection. The prediction of activity spectra for substances (PASS) score showed the ligand displays antiviral activity. Infeksi severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) pada pandemi coronavirus disease 2019 (COVID-19) menjadi ancaman dunia kesehatan saat ini. Infeksi SARS-CoV-2 ditentukan oleh interaksi protein spike envelope S1 domain dengan reseptor angiotensin-converting enzyme 2 (ACE2) yang diekspresikan pada sel epitel saluran pernafasan terutama paru-paru. Mekanisme penghambatan ACE2 menjadi target penting dalam pengendalian COVID-19. Senyawa bioaktif tanaman obat, seperti flavonoid diketahui mampu mengganggu fungsi banyak makromolekul termasuk ACE (homolog dengan ACE2). Penelitian ini bertujuan mengeksplorasi kemampuan senyawa apiin, epicatechin, dan hesperetin dari Moringa oleifera dalam berinteraksi dengan sisi aktif ACE2 menggunakan metode penambatan molekul. Studi dilakukan dengan preparasi struktur molekul ligan dari PubChem database dan diolah dengan MOE 2008.10. Selanjutnya, data protein ACE2 (Protein Data Bank ID 1R4L) dianalisis sisi aktifnya untuk mengetahui lokasi penambatan ligan senyawa. Analisis skor docking dan ikatan hydrogen komplek ligan dan sisi aktif ACE2 menunjukkan bahwa afinitas flavonoid dapat diperingkatkan sebagai afinitas hesperetin > epicatechin > apiin > C19H23Cl2N3O4. Ketiga ligan senyawa yang terkandung dalam M. oleifera secara in silico mampu mengikat sisi aktif ACE2, sehingga berpotensi mencegah infeksi COVID-19. Skor PASS (prediction of activity spectra for substances) menunjukkan aktivitas biologis ligan yang menyerupai antiviral.
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Dissertations / Theses on the topic "Ligaen"

1

Nandakumar, Jayakrishnan. "Discrimination of RNA versus DNA by an RNA ligase and distinct modes of substrate recognition by DNA ligases /." Access full-text from WCMC:, 2007. http://proquest.umi.com/pqdweb?did=1428838891&sid=13&Fmt=2&clientId=8424&RQT=309&VName=PQD.

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2

Fan, Jun. "Investigating the crosstalk between Nedd4 ubiquitin ligases and PIAS3 SUMO ligase." Thesis, Queen Mary, University of London, 2017. http://qmro.qmul.ac.uk/xmlui/handle/123456789/31791.

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Previously it has been shown that Rsp5p, a member of Nedd4 ubiquitin ligases in yeast, is modified by the ubiquitin-like protein SUMO and that this modification is performed by Siz1p, a member of PIAS SUMO ligases that are in turn substrates of Rsp5p-dependent ubiquitylation, thus defining a previously unidentified system of crosstalk between the ubiquitin and SUMO systems in yeast. This project aims to identify whether similar crosstalk pattern exists in human cells. In vitro ubiquitylation assays showed that some of the human Nedd4 family members (Nedd4.1, Nedd4.2, WWP1) are capable of ubiquitylating the human SUMO ligase PIAS3, while in contrast, Smurf2 does not appear to be able to modify this protein. This modification is partially WW-PY-motif-dependent as ubiquitylation level of PIAS3 mutants with altered PY motifs conducted by Nedd4.1 or Nedd4.2 was reduced, but not completely disrupted. Interestingly, in vitro SUMOylation assay revealed that Nedd4.1 is SUMOylated even in the absence of SUMO E3 ligases and an apparent interaction between the SUMO E2 (Ubc9) and Nedd4.1 was observed both in vitro and in vivo. I show that auto- SUMOylation of Nedd4.1 is accompanied with the formation of thioester-linked conjugates between Nedd4.1 and SUMO, but these do not involve cysteine residues (C867, C778, and C627) within the HECT domain itself and is not occurring at a predicted SUMOylation consensus site (K357). Furthermore, I have shown that Nedd4.1 and SUMO1/2 colocalize in HeLa cells, and that overexpression of epitope tagged Nedd4 and SUMO1/2, followed by denaturing pull-downs demonstrates that both Nedd4.1 and Nedd4.2 can be SUMOylated in vivo. Meanwhile, I have generated a SUMO trap based on SUMO interacting motifs (SIMs) and confirmed its ability of capturing SUMOylated proteins both in vivo and in vitro. Its use reveals that Nedd4 SUMO conjugates could be captured by SUMO trap when Nedd4 and SUMO were co-expressed in HeLa cells, again confirming Nedd4.1 as a substrate for SUMO1 or SUMO2. In conclusion, I show that SUMOylation of Nedd4.1 does exist in HeLa cells, and on the other hand, some of Nedd4 family members are responsible for PIAS3 ubiquitylation in vitro, providing evidence of a crosstalk between Nedd4 family of ubiquitin ligases and PIAS family of SUMO ligases in mammals.
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Nakatsubo, Tomoyuki. "Characterization of O-methyltransferases and pinoresinol reductases involved in lignin and lignan biosynthesis." Kyoto University, 2008. http://hdl.handle.net/2433/123964.

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Kyoto University (京都大学)
0048
新制・課程博士
博士(農学)
甲第14173号
農博第1734号
新制||農||964(附属図書館)
学位論文||H20||N4412(農学部図書室)
UT51-2008-N490
京都大学大学院農学研究科応用生命科学専攻
(主査)教授 梅澤 俊明, 教授 宮川 恒, 教授 矢﨑 一史
学位規則第4条第1項該当
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Wang, Shao-Fang. "Biochemical and biophysical studies of MDM2-ligand interactions." Thesis, University of Edinburgh, 2012. http://hdl.handle.net/1842/9527.

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MDM2, murine double minute 2, is a RING type-E3 ligase protein and also an oncogene. MDM2 plays a critical role in determining the steady levels and activity of p53 in cells using two mechanisms. The N-terminal domain of MDM2 binds to the transactivation domain of p53 and inhibits its transcriptional activity. The RING domain of MDM2 plays a role in the ubiquitination (and degradation) of p53. Several proteins are responsible for the ubiquitination mechanism including the ubiquitin-activating enzyme (E1), ubiquitin-conjugating enzyme (E2) and ubiquitin ligase (E3). Since the E2-E3 interaction is essential for ubiquitination, the protein-protein recognition site is a potential drug target. Two different MDM2 RING constructs were expressed and purified: MDM2RING (residues 386-491) and MDM2RING△C (residues 386-478). Both constructs were characterised using dynamic light scattering, size exclusion chromatography, mass spectrometry, NMR and electron microscopy. E3 ligase activity in vitro was also studied. Taken together these results showed that the MDM2RING construct formed a concentration-dependent oligomeric structure. In contrast, the MDM2RING△C construct formed a dimer at all concentrations. Both MDM2RING and MDM2RING △ C retain E3 ligase activity. However, the MDM2RING△C construct is less active. Full length E2 enzyme UbcH5a was also purified. Various biophysical techniques were used to study its interaction with MDM2 as well as with potential small molecule inhibitors as in principle, small molecules which disrupt the interaction between MDM2 and UbcH5a, could prevent/promote ubiquitination of p53. The dimerisation of MDM2 is important for its E3 activity and the C8-binding site potentially provides a second druggable site. In this work, peptide 9, which has the same sequence as the C-terminus of MDMX (an MDM2 homologue) was found to inhibit MDM2 E3 activity. Various biological techniques including NMR, fluorescence anisotropy, and electrospray mass spectrometry were used to investigate the interaction between two inhibitory peptides and MDM2. A major part of project involved virtual screening (VS) to search for small molecules which can affect MDM2-dependent ubiquitination. Three potential targets were considered: (1) the C8-binding site of MDM2; (2) the UbcH5a-binding site of MDM2; and (3) the MDM2-binding site of UbcH5a. Several small molecules were identified using our virtual screening database-mining and docking programs that were shown to affect MDM2-dependent ubiquitination of p53. In terms of understanding the complex biochemical mechanism of MDM2 this work provides two interesting and functionally relevant observations: (i) the MDM2 RING△C construct is a dimer as this would not be expected form the existing studies, and has less E3 ligase activity than MDM2RING; (ii) small molecules that bind MDM2 on the E2 binding site enhanced E3 ligase activity. One model to explain these observations is that binding of small molecule activators family to the RING induces a change in the conformation of the Cterminal tail residues which may enhance E2 binding.
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Lotte, Romain. "Caractérisation des interactions moléculaires entre la GTPase Rac1 et son régulateur HACE1 : perspectives en infectiologie et en cancérologie." Electronic Thesis or Diss., Université Côte d'Azur (ComUE), 2017. http://www.theses.fr/2017AZUR4087.

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La GTPase Rac1 est une protéine de signalisation intracellulaire qui joue notamment un rôle clé dans la prolifération cellulaire. Notre laboratoire a montré que la toxine CNF1, produite par les Escherichia coli pathogènes, catalyse l’activation de Rac1. Nous avons également identifié le rôle de la E3 ubiquitine-ligase HACE1, un suppresseur de tumeur avéré, dans la régulation par ubiquitylation de Rac1 actif. S’il est prouvé que la forme activée de Rac1 est une cible d’HACE1, le mode d’interaction de ces deux protéines reste à définir ainsi que le rôle de ces interactions dans l’infection et le cancer. L’objectif de mon travail a été de caractériser les interactions moléculaires entre HACE1 et Rac1. Nous avons testé l’hypothèse que des mutations ponctuelles d’HACE1 identifiées dans les cancers pourraient interférer avec son interaction avec Rac1 et sa capacité de contrôle de la croissance cellulaire. J’ai ainsi pu mettre en évidence que 13 mutations somatiques d’HACE1 issues de tumeurs séquencées altèrent sa fonction de contrôle de la croissance cellulaire. De plus, l’étude de ces mutations nous a permis d’identifier un groupe d’acides aminés, situés sur les ankyrin-repeats 5 à 7 d’HACE1, qui contrôle l’interaction d’HACE1 avec Rac1 et de ce fait son ubiquitylation. Enfin dans cette étude nous précisons le rôle du domaine intermédiaire d’HACE1 (MID) dans la spécificité d’interaction de la ligase avec la forme active de Rac1. In fine, la caractérisation de mutants d’interaction entre HACE1 et Rac1 ainsi que l’effet de la toxine CNF1 sur cet axe de signalisation doit nous renseigner sur l’importance de cette voie de régulation dans le cancer et l’infection
The small GTPase Rac1 plays a key role in various intracellular signaling pathways including cell proliferation. Our laboratory has shown that the CNF1 toxin, produced by pathogenic Escherichia coli, catalyzes the activation of Rac1. We also identified the role of the E3 ubiquitin-ligase HACE1, a tumor suppressor, in the regulation by ubiquitylation of active Rac1. If the activated form of Rac1 is proved to be a target of HACE1, the mode of interaction between these two proteins remains to be define as well as the role of these interactions in infection and cancer. The aim of my work was to characterize the molecular interactions between HACE1 and Rac1. We tested the hypothesis that HACE1 point mutations identified in cancers could interfere with its interaction with Rac1 and its ability to control cell growth. We showed that 13 cancer-associated somatic mutations of HACE1, led to a defective control of cell proliferation. Moreover, the study of these mutations allowed us to identify a group of amino acids, located on the ankyrin-repeats 5 to 7 of HACE1, which controls the interaction of HACE1 with Rac1 and thus its ubiquitylation. We also identified a role for the intermediate domain of HACE1 (MID) in conferring the specificity of association of HACE1 to the active form of Rac1. Ultimately, the characterization of interaction mutants between HACE1 and Rac1 as well as the effect of the CNF1 toxin on this signaling axis will give us more insight on this regulatory pathway in cancer and infection
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Lelievre, Chloé. "Formation de liaisons amides par réactions enzymatiques détournées ATP Regeneration System in Chemoenzymatic Amide Bond Formation with Thermophilic CoA Ligase." Thesis, université Paris-Saclay, 2020. http://www.theses.fr/2020UPASF026.

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La fonction amide est omniprésente dans les produits naturels et aussi dans de nombreux composés synthétiques comme des principes actifs et des polymères. De nombreuses approches ont été développées pour disposer de méthodes de synthèse efficaces. L'approche la plus courante en chimie conventionnelle est l'acylation d'une amine par un acide carboxylique activé. L'activation nécessite l'utilisation soit d'agents de couplage, résultant en une faible économie d'atomes, soit de catalyseurs couteux parfois utilisés dans des conditions drastiques. Les approches biocatalytiques sont donc des alternatives intéressantes pour des raisons économiques et environnementales. Différentes enzymes peuvent être utilisées comme des hydrolases, des nitrile hydratases et des transglutaminases qui activent l'acide sous forme acyl-enzyme pour favoriser l'addition nucléophile de l'amine. Depuis quelques années, l'intérêt pour les enzymes dépendantes de l'ATP s'est accru.Dans ce projet, nous nous sommes intéressés aux CoA ligases qui catalysent la formation d'acide activé sous forme d'acyl-adenylate puis acyl-thioester. Nous avons ainsi mis en évidence qu'en détournant la réaction par piégeage de l'intermédiaire activé par une amine, nous obtenons l'amide. L'utilisation de CoA ligases thermophiles permet de travailler à une température élevée et ainsi de faciliter l'addition non catalysée de l'amine. Ce système s'affranchit donc de l'utilisation de HSCoA onéreux. Pour un système efficace, nous avons aussi intégré avec succès un système de régénération de l'ATP comprenant une Polyphosphate Kinase 2 (Classe III) et une inorganique pyrophosphatase. L'efficacité de cette cascade a été illustrée par la synthèse chemo-enzymatique à l'échelle du laboratoire du N-méthylbutyrylamide avec un rendement de 77 % avec de faibles quantités en enzyme.L'exploration de la biodiversité par approche génomique basée sur la comparaison de séquence, nous a permis d'identifier plusieurs CoA ligases thermophiles actives sur des substrats ω-amino acides précurseurs de lactames. K6Q029 issue de Thermaerobacter subterraneus a fait l'objet d'études plus approfondies. Elle est notamment active sur des substrats ω-amino acides fonctionnalisés ou non, de chaines carbonées plus ou moins longues, mais aussi sur des acides carboxyliques variés tels que des aromatiques.Grâce à la résolution structurale d'A4YDT1, une CoA ligase promiscuitaire, nous avons identifié, en collaboration avec une équipe de cristallographes de l'université de Groningen (Pays Bas), les résidus impliqués dans sa spécificité de substrats pour les modifier par une approche rationnelle. Des mutants de cette enzyme ont ainsi permis l'obtention de δ-valerolactame et Ɛ-caprolactame
The amide function is widespread in nature and also in many synthetic products such as pharmaceuticals and polymers. Numerous approaches have been developed to provide reliable synthesis methods. The most common approach in conventional chemistry is the acylation of an amine by activated carboxylic acid. Activation requires the use of either coupling reagents resulting in low atom economy, or expensive catalysts sometimes used under drastic conditions. Biocatalytic approaches are therefore interesting alternatives for economic and environmental reasons. Different enzymes can be used such as hydrolases, nitrile hydratases and transglutaminases that activate the acid in acyl-enzyme form to promote the nucleophilic addition of the amine. In recent years, interest in ATP-dependent enzymes has increased.In this project, we focused on CoA ligases that catalyze the formation of activated acid as acyl-adenylate and then acyl-thioester. We have thus demonstrated that by diverting the reaction by scavenging activated intermediate with an amine, we obtain the amide. The use of thermophilic CoA ligases allows us to work at a high temperature and thus facilitate the uncatalyzed addition of the amine. This system therefore dispenses with the use of expensive HSCoA. For a better system, we have also successfully integrated an ATP regeneration system with a Polyphosphate Kinase 2 (Class III) and an inorganic pyrophosphatase. The efficiency of this cascade was illustrated by the lab-scale chemo-enzymatic synthesis of N-methylbutyrylamide in 77 % yield using low enzyme loading.Biodiversity exploration using a genomic approach based on sequence comparison allowed us to identify several thermophilic CoA ligases active towards ω-amino acid substrates. K6Q029 from Thermaerobacter subterraneus was further studied. In particular, this enzyme is active towards ω-amino acid substrates, functionalized or not, with more or less long carbon chains, as well as on various carboxylic acids such as aromatics.Thanks to the structural resolution of A4YDT1, a promiscuous CoA ligase from the literature, we have identified, in collaboration with a team of crystallographers from theUniversity of Groningen (Netherlands), the residues involved in its substrate specificity to modify them by a rational approach. Variants of this enzyme have thus allowed to obtain δ-valerolactam and Ɛ-caprolactam
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7

El, Hachem Najla. "Rôle pro-tumorigénique de HACE1 dans le mélanome." Thesis, Université Côte d'Azur (ComUE), 2017. http://www.theses.fr/2017AZUR4035.

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L’incidence du mélanome a augmenté de façon considérable lors des trente dernières années avec un doublement tous les dix ans. Le mélanome ne représente que 5% des cancers cutanés mais entraîne 80% de décès, ce qui constitue un problème majeur de santé publique. En effet, cette tumeur est extrêmement agressive et possède un fort potentiel métastatique. Dès l’apparition de métastases, le pronostic vital devient fortement défavorable. Malgré des avancées thérapeutiques majeures, de nombreux patients sont encore réfractaires à ces nouveaux traitements. La compréhension des mécanismes impliqués dans le développement de cette tumeur reste donc un enjeu de premier ordre. Le séquençage d'exomes a conduit à l'identification d'une mutation dans le gène RAC1 (la mutation P29S) constituant une des mutations somatiques les plus fréquentes dans le mélanome (après les mutations BRAFV600, NRASQ61 et NF1). RAC1 est une petite GTPase qui fonctionne dans plusieurs processus cellulaires. Dans des conditions physiologiques, l'activité de RAC1 est principalement contrôlée par des protéines activatrices de l'activité GTPase (GAPs) et des facteurs d'échange Nucléotidique (GEF). GAPs et GEFs contrôlent le niveau de RAC1-GTP et régulent donc son activité. L'activité de RAC1 est aussi dépendante de son niveau d'expression protéique qui est contrôlé par des E3 ubiquitine ligases, parmi lesquelles HACE1. HACE1 est considérée comme un suppresseur de tumeur. De façon inattendue, les données obtenues montrent clairement que HACE1 favorise les propriétés migratoires et tumorigéniques des cellules de mélanome
Melanoma incidence has considerably increased over the last thirty years, with a doubling every ten years. Melanoma accounts for only 5% of cutaneous cancers but causes more than 80% of deaths, which is a major public health problem. Indeed, this tumor is extremely aggressive and has a high metastatic potential. After the onset of metastases, the prognosis becomes highly unfavorable. Despite major therapeutic advances, many patients are still refractory to these new treatments. Understanding the mechanisms involved in the development of this tumor and the identification of new therapies remain a major issue. The sequencing of exomes led to the identification of a mutation in the RAC1 gene (P29S) constituting one of the most frequent somatic mutations in melanoma (after the BRAFV600, NRASQ61 and NF1 mutations). RAC1 is a small GTPase that is involved in several key cellular processes. Under physiological conditions, the activity of RAC1 is mainly controlled by GTPase activating proteins (GAPs) and Nucleotide Exchange (GEF) exchange factors. GAPs and GEFs control the level of RAC1- GTP and thus regulate its activity. The activity of RAC1 is also dependent on its protein level of expression which is controlled by E3 ubiquitin ligases, including HACE1. HACE1 is considered a tumor suppressor. Unexpectedly, our data clearly show that HACE1 promotes migratory and tumorigenic properties of melanoma cells. Indeed, inhibition of HACE1 alters migration of melanoma cells in vitro, as well as in vivo pulmonary colonization in mice. Transcriptomic analysis of 4 melanoma cell lines demonstrated that HACE1 suppression inhibits ITGAV and ITGB1 expression
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El, Hachem Najla. "Rôle pro-tumorigénique de HACE1 dans le mélanome." Electronic Thesis or Diss., Université Côte d'Azur (ComUE), 2017. http://www.theses.fr/2017AZUR4035.

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L’incidence du mélanome a augmenté de façon considérable lors des trente dernières années avec un doublement tous les dix ans. Le mélanome ne représente que 5% des cancers cutanés mais entraîne 80% de décès, ce qui constitue un problème majeur de santé publique. En effet, cette tumeur est extrêmement agressive et possède un fort potentiel métastatique. Dès l’apparition de métastases, le pronostic vital devient fortement défavorable. Malgré des avancées thérapeutiques majeures, de nombreux patients sont encore réfractaires à ces nouveaux traitements. La compréhension des mécanismes impliqués dans le développement de cette tumeur reste donc un enjeu de premier ordre. Le séquençage d'exomes a conduit à l'identification d'une mutation dans le gène RAC1 (la mutation P29S) constituant une des mutations somatiques les plus fréquentes dans le mélanome (après les mutations BRAFV600, NRASQ61 et NF1). RAC1 est une petite GTPase qui fonctionne dans plusieurs processus cellulaires. Dans des conditions physiologiques, l'activité de RAC1 est principalement contrôlée par des protéines activatrices de l'activité GTPase (GAPs) et des facteurs d'échange Nucléotidique (GEF). GAPs et GEFs contrôlent le niveau de RAC1-GTP et régulent donc son activité. L'activité de RAC1 est aussi dépendante de son niveau d'expression protéique qui est contrôlé par des E3 ubiquitine ligases, parmi lesquelles HACE1. HACE1 est considérée comme un suppresseur de tumeur. De façon inattendue, les données obtenues montrent clairement que HACE1 favorise les propriétés migratoires et tumorigéniques des cellules de mélanome
Melanoma incidence has considerably increased over the last thirty years, with a doubling every ten years. Melanoma accounts for only 5% of cutaneous cancers but causes more than 80% of deaths, which is a major public health problem. Indeed, this tumor is extremely aggressive and has a high metastatic potential. After the onset of metastases, the prognosis becomes highly unfavorable. Despite major therapeutic advances, many patients are still refractory to these new treatments. Understanding the mechanisms involved in the development of this tumor and the identification of new therapies remain a major issue. The sequencing of exomes led to the identification of a mutation in the RAC1 gene (P29S) constituting one of the most frequent somatic mutations in melanoma (after the BRAFV600, NRASQ61 and NF1 mutations). RAC1 is a small GTPase that is involved in several key cellular processes. Under physiological conditions, the activity of RAC1 is mainly controlled by GTPase activating proteins (GAPs) and Nucleotide Exchange (GEF) exchange factors. GAPs and GEFs control the level of RAC1- GTP and thus regulate its activity. The activity of RAC1 is also dependent on its protein level of expression which is controlled by E3 ubiquitin ligases, including HACE1. HACE1 is considered a tumor suppressor. Unexpectedly, our data clearly show that HACE1 promotes migratory and tumorigenic properties of melanoma cells. Indeed, inhibition of HACE1 alters migration of melanoma cells in vitro, as well as in vivo pulmonary colonization in mice. Transcriptomic analysis of 4 melanoma cell lines demonstrated that HACE1 suppression inhibits ITGAV and ITGB1 expression
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Orts, Julien. "Caractérisation des interactions entre ligands et protéines par RMN en solution." Grenoble, 2010. http://www.theses.fr/2010GRENY011.

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Un des buts de la recherche pharmaceutique est l'inhibition de protéines avec l'aide de petites molécules (ligands). L'une des phases clefs de ce procédé est la détermination du mode d'interaction entre un ligand et son récepteur. Cette tâche peut être entravée par l'absence de structure du complexe protéine-ligand. C'est pour répondre à ce besoin que nous présentons dans ce travail de thèse, une méthode capable de déterminer la structure de complexes protéine-ligands. Dans la méthode INPHARMA (Inter-ligands Nuclear Overhauser Effect for Pharmacophore Mapping), les inter-ligands NOEs (INPHARMA NOEs) sont utilisés pour déterminer l'orientation relative de deux ligands qui interagissent de manière compétitive avec un même récepteur. Cette nouvelle approche ouvre la voie à des applications pharmaceutiques, également au stade initial du développement, quand l'information structurale via la cristallographie par Rayons X est difficile d'accès
In the process of structure-based drug design, the provision of the binding mode of ligands to the cellular receptor of interest is essential. This can suffer from limited access to protein/ligand structures, especially for the low affinity ligands that are commonly obtained from high throughput screening or fragment based lead discovery. In a common scenario crystal structures are available for one or several ligands but not for all chemical series of actual interest. Here, we present a new, NMR-based approach that allows overcoming this limitation. In the INPHARMA method interligand NOEs (Nuclear Overhauser Enhancement) are utilized to determine relative orientations of different chemical fragments binding competitively to a common receptor site. This novel methodology opens the way to the application of structure-based drug design already in an early stage of drug development, when structural information via crystallography is of difficult access
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Gupta, S. K. "Isolation, cloning and characterization of lignin biosynthesis pathway gene(s) 4-coumarate co a ligase (4cl) from leucaena leucocephala." Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 2008. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2705.

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Books on the topic "Ligaen"

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Ġang. Ligden sudulul. Ku̇lu̇n Buyir Qota: Ȯbȯr Mongġol-un Keblel-u̇n Bȯlu̇glel, Ȯbȯr Mongġol-un Soyol-un Keblel-u̇n Qoriy-a, 2016.

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Thylin, Stefan. Premier League: Första ligan. Västerås: Sportförlaget, 2010.

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Ligden. Ligden-u̇ ȯgu̇lelge-yin songġomal. [Kȯkqota]: Ȯbȯr Mongġol-un Arad-un Keblel-u̇n Qoriy-a, 1985.

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Whiteside, Leo A. Ligament Balancing. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-642-18689-9.

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Zimmermann, Timo. Management von Ligen in Individualsportarten. Wiesbaden: Springer Fachmedien Wiesbaden, 2019. http://dx.doi.org/10.1007/978-3-658-24919-9.

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Society, Ligden Poetry, ed. Pulsar: Poems from Ligden Poetry Society. Swindon: Ligden Publishers, 2000.

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Landvreugd, Hermine. Margaretha bleef het langst liggen: Verhalen. Amsterdam: Bezige Bij, 1996.

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Hösl, Florian. Wettbewerbsfähigkeit nationaler Ligen im europäischen Profifußball. Wiesbaden: Springer Fachmedien Wiesbaden, 2020. http://dx.doi.org/10.1007/978-3-658-32326-4.

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Gzoyan, Ēdita. Hayastani aṛajin hanrapetutʻyuně ev Azgeri ligan. Erevan: HH GAA "Gitutʻyun" hratarakchʻutʻyun, 2013.

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Nienhaus, G. Ulrich. Protein-Ligand Interactions. New Jersey: Humana Press, 2005. http://dx.doi.org/10.1385/1592599125.

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Book chapters on the topic "Ligaen"

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Dirks, Tineke, and Annelies Diesfeldt. "Liggen." In Als je kind het zelf niet kan, 36–52. Houten: Bohn Stafleu van Loghum, 2001. http://dx.doi.org/10.1007/978-90-313-9512-5_3.

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Lewis, Norman G., Laurence B. Davin, and Simo Sarkanen. "Lignin and Lignan Biosynthesis: Distinctions and Reconciliations." In ACS Symposium Series, 1–27. Washington, DC: American Chemical Society, 1998. http://dx.doi.org/10.1021/bk-1998-0697.ch001.

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Sharma, Swati, Abhishek Sharma, Sikandar I. Mulla, Deepak Pant, Tanvi Sharma, and Ashok Kumar. "Lignin as Potent Industrial Biopolymer: An Introduction." In Lignin, 1–15. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_1.

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Bhat, Rajeev, Aziz Ahmad, and Ivi Jõudu. "Applications of Lignin in the Agri-Food Industry." In Lignin, 275–98. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_10.

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Lu, Yong-Chao, Yao Lu, and Xing Fan. "Structure and Characteristics of Lignin." In Lignin, 17–75. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_2.

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Ahuja, Vishal, and Raya Roy. "Lignin Synthesis and Degradation." In Lignin, 77–113. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_3.

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Nayak, Kush Kumar, Piyush Parkhey, and Reecha Sahu. "Analysis of Lignin Using Qualitative and Quantitative Methods." In Lignin, 115–38. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_4.

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Lopez-Camas, Karen, Muhammad Arshad, and Aman Ullah. "Chemical Modification of Lignin by Polymerization and Depolymerization." In Lignin, 139–80. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_5.

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Ghozali, Muhammad, Evi Triwulandari, Witta Kartika Restu, Sri Fahmiati, and Yenny Meliana. "Lignin and Its Composites." In Lignin, 181–202. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_6.

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Kumar, Raj, Abhishek Gupta, Mohit Chawla, Keshaw Ram Aadil, Sunil Dutt, Vijay Bhooshan Kumar, and Abhishek Chaudhary. "Advances in Nanotechnology based Strategies for Synthesis of Nanoparticles of Lignin." In Lignin, 203–29. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-40663-9_7.

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Conference papers on the topic "Ligaen"

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Chandra, S., and V. Kumar. "Thermodynamic Properties of LiGaS2 and LiGaSe2 using First-Principle Calculations." In 2018 5th IEEE Uttar Pradesh Section International Conference on Electrical, Electronics and Computer Engineering (UPCON). IEEE, 2018. http://dx.doi.org/10.1109/upcon.2018.8596990.

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Palermo, G., G. Accordi, D. Gadioli, Y. Zhang, E. Vitali, B. Guindani, D. Ardagna, et al. "LIGATE - LIgand Generator and portable drug discovery platform AT Exascale." In CF '24: 21st ACM International Conference on Computing Frontiers. New York, NY, USA: ACM, 2024. http://dx.doi.org/10.1145/3637543.3656335.

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Jelínek, Michal, Václav Kubeček, Ondřej Novák, Jaroslav Huynh, Martin Cimrman, Michal Chyla, Martin Smrž, and Tomáš Mocek. "Difference Frequency Generation in BaGa4Se7, LiGaSe2, or LiGaS2 with Output Energy up to 100 μJ Tunable in a 5 to 13 μm Range Pumped by a 1.03 μm, 1.8 ps Laser." In Advanced Solid State Lasers. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/assl.2022.jw3b.15.

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Chandra, Satish, V. Kumar, and Yadvendra Singh. "First-principle calculations of Debye temperature of optoelectronic LiGaS2 and LiGaSe2 semiconductors under different pressures." In Optical Components and Materials XVI, edited by Michel J. Digonnet and Shibin Jiang. SPIE, 2019. http://dx.doi.org/10.1117/12.2506878.

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Zhou, Lu, Ondřej Novák, Martin Smrž, and Tomáš Mocek. "Study of Broadband Mid-infrared Optical Parametric Amplification in LiGaS2, LiGaSe2, LiInS2, and LiInSe2 Crystals." In Compact EUV & X-ray Light Sources. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/euvxray.2022.jw5a.17.

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Silva, Alessandro Márcio Hakme Da, Alessandro Fraga Farah, Abimael Caleb Ribeiro, Alexandre José Ribeiro, and Jonas De Carvalho. "MODELO COMPUTACIONAL DE ANÁLISE DO COMPORTAMENTO MECÂNICO DA LIGA TI-6AL-4V EM COMPARAÇÃO A LIGA Ti-20Nb." In IV Simpósio de Tecnologias da Fatec de Sertãozinho (SITEFA/Stz). Fatec Sertãozinho, 2022. http://dx.doi.org/10.33635/sitefa.v4i1.163.

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O presente trabalho apresenta um modelo computacional com análise pelo método dos elementos finitos aplicado a uma liga Titânio-Nióbio Ti-20Nb comparativamente a liga de titânio TI-6AL-4V. Os dois modelos de compressão mecânica foram criados e simulados no Software Ansys. Os objetivos do trabalho foram analisar comparativamente, através de um modelo computacional, as ligas a fim de se interpretar as características mecânicas de tensões e deformações sob carregamento estático, buscando compreender e verificar se os comportamentos das ligas são similares, em vista que o nióbio poderá ser usado como material para próteses ortodônticas e ortopédicas em um cenário futuro. Foi utilizado o Método dos Elementos Finitos (MEF), que é um método numérico usado para resolver, de forma aproximada, equações diferenciais que governam o comportamento mecânico dos materiais das ligas consideradas no estudo. Foi utilizado o software de desenho 3D SpaceClaim, para a criação dos modelos simplificados TiM1 (titânio malha 1) e NbM1 (Nióbio malha 1). A análise comparativa entre os resultados computacionais e experimentais foi realizada em termos qualitativos e quantitativos. Na comparação dos comportamentos mecânicos das ligas, Ti-6Al-4V e Ti-20Nb, as tensões se concentraram na porção onde foi feita a vinculação do modelo e os maiores valores de tensão encontrados diferiram entre os modelos considerados da ordem de 7%. As tensões médias encontradas ficaram bem próximas do modelo numérico para escalas em tecidos ósseos com implantes, e as deformações totais foram pequenas comparadas com modelos para ligas de titânio mais utilizadas em medicina, o que corrobora que a liga Ti-Nb é bastante promissora para aplicações na área de saúde.
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Lim, Manko, Timothy A. Jackson, and Philip A. Anfinrud. "Ultrafast Near-IR Spectroscopy of Carbonmonoxymyoglobin: the Dynamics of Protein Relaxation." In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.thb3.

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The conformation of a protein often influences its activity, yielding a structure-function relationship. X-ray diffraction studies have shown that the tertiary structures of ligated and deligated myoglobin (Mb) are somewhat different1. Consequently, dissociation of a ligand from Mb triggers a transition between the two tertiary conformations. The potential energy gradient causing this change is developed at the heme; the iron prefers to be in the plane of the porphyrin in ligated Mb but is displaced 0.5 Å from the plane of the porphyrin in deoxy Mb. The dynamics of this conformational transition may influence the dynamics of rebinding ligands, implying that protein dynamics are also functionally important. For example, the dynamics of ligand recombination with Mb following photolysis of MbCO or MbO2 in low-temperature glasses are similar2. In contrast, Mb expurgates CO with far greater efficiency than O2 when photolysis is carried out at biologically important temperatures3. Since protein motion is inhibited at low temperatures, protein relaxation likely accounts for the temperature-dependent difference in the quantum yield of photodissociation. The ability to discriminate against the binding and storage of CO is functionally important as endogenously produced CO would otherwise compete effectively with O2 for binding sites. A steric mechanism for discriminating against the binding of CO, involving the distal histidine, is well known. The dynamics of protein relaxation evidently provide a mechanism for discriminating against the storage of CO. We have investigated the dynamics of protein relaxation in order to probe this mechanism and thereby elucidate the relation between protein dynamics and function.
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Sunkesula, Sai Praneeth Reddy, Rishabh Dabral, and Ganesh Ramakrishnan. "LIGHTEN." In MM '20: The 28th ACM International Conference on Multimedia. New York, NY, USA: ACM, 2020. http://dx.doi.org/10.1145/3394171.3413778.

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NEVES NETO, DURVAL NOLASCO DAS, Guilherme Sousa Ferreira LAGARES, Layre Araujo Abreu, Maria Karina Lima Lagares, Rone Fontoura Abreu, and Vinicius Barroso de Sousa. "ESTUDO EPIDEMIOLÓGICO DE FEBRE CHIKUNGUNYA NO TOCANTINS, 2017 A 2021." In Anais do Encontro Regional de Ligas Acadêmicas - Ligas Day. Recife, Brasil: Even3, 2023. http://dx.doi.org/10.29327/1314101.1-2.

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Sousa, Vinicius Barroso de, Maria Karina Lima Lagares, André Anderson Soares Souza, Rone Fontoura Abreu, Rone Antônio Alves de Abreu, and Rômulo Antônio Fontoura Abreu. "ANÁLISE RETROSPECTIVA DA MORTALIDADE DE PACIENTES EM PÓS OPERATÓRIO DE CIRURGIAS ONCOLÓGICAS NO HOSPITAL REGIONAL DE ARAGUAÍNA, 2010 A 2021." In Anais do Encontro Regional de Ligas Acadêmicas - Ligas Day. Recife, Brasil: Even3, 2023. http://dx.doi.org/10.29327/1314101.1-1.

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Reports on the topic "Ligaen"

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Lalvani, S. B. Lignin-assisted coal depolymerization. Office of Scientific and Technical Information (OSTI), January 1991. http://dx.doi.org/10.2172/5795190.

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Chung-Jui Tsai, Mark F. Davis, and Vincent L. Chiang. Genetic Augmentation of Syringyl Lignin in Low-lignin Aspen Trees, Final Report. Office of Scientific and Technical Information (OSTI), November 2004. http://dx.doi.org/10.2172/883338.

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Raj, Ganesh V. Targeting Ligand Dependent and Ligand Independent Androgen Receptor Signaling in Prostate Cancer. Fort Belvoir, VA: Defense Technical Information Center, October 2014. http://dx.doi.org/10.21236/ada613818.

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Raj, Ganesh V. Targeting Ligand-Dependent and Ligand-Independent Androgen Receptor Signaling in Prostate Cancer. Fort Belvoir, VA: Defense Technical Information Center, October 2013. http://dx.doi.org/10.21236/ada604653.

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Dilworth, G. L. Biochemical genetics of Lignin degradation. Office of Scientific and Technical Information (OSTI), February 1997. http://dx.doi.org/10.2172/471447.

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Lewis, N. G. Unravelling lignin formation and structure. Office of Scientific and Technical Information (OSTI), January 1991. http://dx.doi.org/10.2172/6001554.

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Carlson, John E. ''The control of lignin synthesis''. Office of Scientific and Technical Information (OSTI), April 2005. http://dx.doi.org/10.2172/838425.

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Taylor, Dean C., and Richard C. Mather III. Anterior Cruciate Ligament (ACL) Reconstruction. Touch Surgery Simulations, May 2014. http://dx.doi.org/10.18556/touchsurgery/2014.s0022.

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Shanoski, Jennifer E. Ligand Rearrangements of Organometallic Complexes inSolution. Office of Scientific and Technical Information (OSTI), January 2006. http://dx.doi.org/10.2172/883798.

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Gladysz, J. A. Ligand intermediates in metal-catalyzed reactions. Office of Scientific and Technical Information (OSTI), September 1991. http://dx.doi.org/10.2172/5977342.

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