{"id":9207,"date":"2023-06-19T18:03:06","date_gmt":"2023-06-19T16:03:06","guid":{"rendered":"https:\/\/green-gate.eu\/blog\/\/vrednotenje-ftalatov-z-uporabo-toxtree\/"},"modified":"2023-12-17T20:06:28","modified_gmt":"2023-12-17T19:06:28","slug":"vrednotenje-ftalatov-z-uporabo-toxtree","status":"publish","type":"post","link":"https:\/\/green-gate.eu\/sl\/blog\/dobro-je-vedeti\/vrednotenje-ftalatov-z-uporabo-toxtree\/","title":{"rendered":"Vrednotenje ftalatov z&nbsp;uporabo Toxtree"},"content":{"rendered":"<p>[et_pb_section fb_built=&#8221;1&#8243; admin_label=&#8221;section&#8221; _builder_version=&#8221;4.16&#8243; global_colors_info=&#8221;{}&#8221;][et_pb_row admin_label=&#8221;row&#8221; _builder_version=&#8221;4.16&#8243; background_size=&#8221;initial&#8221; background_position=&#8221;top_left&#8221; background_repeat=&#8221;repeat&#8221; global_colors_info=&#8221;{}&#8221;][et_pb_column type=&#8221;4_4&#8243; _builder_version=&#8221;4.16&#8243; custom_padding=&#8221;|||&#8221; global_colors_info=&#8221;{}&#8221; custom_padding__hover=&#8221;|||&#8221;][et_pb_text _builder_version=&#8221;4.23&#8243; _module_preset=&#8221;default&#8221; hover_enabled=&#8221;0&#8243; global_colors_info=&#8221;{}&#8221; sticky_enabled=&#8221;0&#8243;]<\/p>\n<h3>Kaj se tu dogaja?<\/h3>\n<p>V tem blogu vam bomo prikazali primer, kako oceniti ftalat (ali katero koli drugo snov, o&nbsp;kateri \u017eelite izvedeti ve\u010d!) z&nbsp;uporabo orodja Toxtree, tako da lahko to preizkusite tudi sami. Vse, kar potrebujete, je osebni ali prenosni ra\u010dunalnik in&nbsp;\u017eelja po tem, da se nau\u010dite nekaj novega! <\/p>\n<p>Za ve\u010d informacij o&nbsp;ftalatih si oglejte \u010dlanek na blogu o&nbsp;<a href=\"https:\/\/green-gate.eu\/sl\/blog\/skodljive-sestavine\/ftalati\/\" target=\"_blank\" rel=\"noopener\">ftalatih v&nbsp;kozmetiki<\/a>.<\/p>\n<h5>Za ve\u010d informacij o&nbsp;orodju Toxtree in&nbsp;QSAR si oglejte <a href=\"https:\/\/green-gate.eu\/sl\/blog\/dobro-je-vedeti\/kako-nam-lahko-racunalnik-pomaga-prepoznati-skodljive-sestavine\/\">\u010dlanek na blogu o&nbsp;QSAR<\/a> in&nbsp;poglavje 3 <a href=\"https:\/\/green-gate.eu\/sl\/g-book\/\" target=\"_blank\" rel=\"noopener\">knjige G<\/a>.<\/h5>\n<h3>Korak 1: Nastavitev<\/h3>\n<p>Pred za\u010detkom je treba najprej prenesti programsko opremo, ki jo bomo uporabljali. v&nbsp;brskalniku poi\u0161\u010dite Toxtree (<a href=\"https:\/\/toxtree.sourceforge.net\/download.html\">ali uporabite to povezavo, da bo to hitreje<\/a>) in&nbsp;prenesite najnovej\u0161o razli\u010dico.  \u010ce uporabljate operacijski sistem Windows, lahko prenesete namestitveni program za windows, \u010de uporabljate operacijski sistem Linux ali IOS, prenesite arhiv ZIP in&nbsp;v&nbsp;obeh primerih sledite ustreznim navodilom za namestitev.<\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-1.png&#8221; title_text=&#8221;Toxtree 1&#8243; admin_label=&#8221;Image&#8221; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<p>Da je namestitev uspe\u0161na, boste vedeli, ko boste odprli aplikacijo in&nbsp;se vam bo prikazalo naslednje okno:<\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-2.png&#8221; title_text=&#8221;Toxtree 2&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<h3>Korak 2: Koda SMILES<\/h3>\n<p>Sedaj, ko je name\u0161\u010dena programska oprema lahko poi\u0161\u010demo kodo SMILES kemikalije, ki jo \u017eelimo ovrednotiti.<\/p>\n<p>SMILES pomeni &#8220;Simplified Molecular Input Line Entry System&#8221; in&nbsp;je na\u010din zapisa molekulske formule spojine.<\/p>\n<p>V na\u0161em primeru bomo poiskali kodo SMILES za dibutil ftalat (DBP). Za\u010dnemo tako, da se odpravimo na spletno mesto <a href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/\">PubChem<\/a> in&nbsp;vnesemo ime na\u0161e spojine, v&nbsp;tem primeru Dibutil ftalat, pritisnemo enter in&nbsp;izberemo ustrezen rezultat iskanja (uporabljati moramo angle\u0161ka imena, ki jih lahko poi\u0161\u010dete na spletu).  <\/p>\n<p>Prika\u017ee se celoten opis spojine, ob strani pa v&nbsp;meniju CONTENTS poi\u0161\u010demo izraz &#8220;Canonical SMILES&#8221;, kot je prikazano na spodnji sliki, in&nbsp;kopiramo niz \u010drk:<\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-3.png&#8221; title_text=&#8221;Toxtree 3&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.23&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<h3>Korak 3: \u010cas za analizo<\/h3>\n<p>Najprej v&nbsp;zgornje vnosno polje vnesemo kodo SMILES in&nbsp;pritisnemo GO!<\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-4.png&#8221; title_text=&#8221;Toxtree 4&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<p>To bo spremenilo snov, ki si jo ogledujemo, in&nbsp;tudi izpisalo ustrezno 2D molekularno strukturo. <\/p>\n<p>Pomembno je poudariti, da moramo pred oceno toksi\u010dnosti izbrati ustrezno drevo odlo\u010danja. Odlo\u010ditvena drevesa so niz pravil in&nbsp;algoritmov, ki glede na znane raziskave aktivnih skupin dolo\u010dajo, ali je snov strupena ali ne. Do razli\u010dnih odlo\u010ditvenih dreves lahko dostopamo tako, da kliknemo na ikono &#8220;Method&#8221; v&nbsp;zgornji vrstici in&nbsp;izberemo mo\u017enost &#8220;Select a&nbsp;decision tree&#8221;.  <\/p>\n<p>Ker obstaja ve\u010d odlo\u010ditvenih dreves za napovedovanje toksi\u010dnosti, moramo poiskati vsako posebej. V&nbsp;na\u0161em primeru bomo testirali genotoksi\u010dnost in&nbsp;rakotvornost z&nbsp;ustreznim drevesom, kot je prikazano spodaj: <\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-5.png&#8221; title_text=&#8221;Toxtree 5&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<p>Po izbiri smo preusmerjeni v&nbsp;glavno okno, kjer kliknemo Estimate. \u010ce se odpre drugo okno, ni treba ni\u010desar vna\u0161ati, pritisnite potrditev\/OK. Po kon\u010danem delu je v&nbsp;ozna\u010denih rezultatih dolo\u010dena ocenjena kategorija snovi. Za na\u0161 dibutil ftalat se je algoritem odlo\u010dil, da prika\u017ee opozorilo za ne-genotoksi\u010dno rakotvornost.   <\/p>\n<p>[\/et_pb_text][et_pb_image src=&#8221;https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-6.png&#8221; title_text=&#8221;Toxtree 6&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;32fecfd5-025d-42fc-9828-d86bb0da2821&#8243; global_colors_info=&#8221;{}&#8221;][\/et_pb_image][et_pb_text _builder_version=&#8221;4.23&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221;]<\/p>\n<p>Uspelo nam je!<\/p>\n<p>Ugotovili smo genotoksi\u010dnost dibutil ftalata.<\/p>\n<p>Zdaj vas spodbujamo, da to poskusite storiti z&nbsp;razli\u010dnimi sestavinami, ki jih najdete na kozmeti\u010dnih izdelkih, ki le\u017eijo po va\u0161em domu.<\/p>\n<p>Prav tako lahko preidete na druga drevesa naborov pravil in&nbsp;i\u0161\u010dete druge potencialno strupene lastnosti vsakdanjih predmetov.<\/p>\n<p>[\/et_pb_text][\/et_pb_column][\/et_pb_row][\/et_pb_section]<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Nau\u010dimo se, kako na enostaven na\u010din prepoznamo toksi\u010den potencial snovi, s&nbsp;pomo\u010djo uporabnikom prijaznega programa.<\/p>\n","protected":false},"author":11,"featured_media":7110,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_et_pb_use_builder":"on","_et_pb_old_content":"","_et_gb_content_width":"","_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[126],"tags":[],"ppma_author":[168],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v23.2 - 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