Manyan kayan aiki sun haɓaka babban kimiyya a shekarar 2022
Manyan bayanai da kayan aiki masu yawa sun taimaka wa masana kimiyya wajen magance ilimin sinadarai a wannan shekarar
ta hanyarAriana Remmel
Daraja: Cibiyar Kwamfuta ta Shugabancin Oak Ridge a ORNL
Babban kwamfuta na Frontier da ke Oak Ridge National Laboratory shi ne na farko a cikin sabbin na'urori da za su taimaka wa masana kimiyyar sinadarai su ɗauki kwaikwayon ƙwayoyin halitta waɗanda suka fi rikitarwa fiye da da.
Masana kimiyya sun yi manyan bincike ta amfani da kayan aiki masu girma a shekarar 2022. Bisa ga yanayin da aka samu kwanan nan na fasahar kere-kere mai inganci a fannin sinadarai, masu bincike sun yi babban ci gaba, suna koyar da kwamfutoci yadda za su yi hasashen tsarin furotin a wani mataki da ba a taba ganin irinsa ba. A watan Yuli, kamfanin DeepMind mallakar Alphabet ya buga wani rumbun adana bayanai wanda ya kunshi tsarinkusan dukkan sunadaran da aka sani— furotin daban-daban sama da miliyan 200 daga nau'ikan sama da miliyan 100—kamar yadda aka annabta ta hanyar tsarin koyon na'ura na AlphaFold. Sannan, a watan Nuwamba, kamfanin fasaha na Meta ya nuna ci gabansa a fasahar hasashen furotin tare da tsarin AI mai sunaESMFoldA cikin wani bincike da aka yi a baya wanda ba a sake duba shi ba tukuna, masu binciken Meta sun ba da rahoton cewa sabon tsarin aikinsu bai kai AlphaFold daidai ba amma ya fi sauri. Ƙarin saurin yana nufin cewa masu binciken za su iya hasashen tsarin miliyan 600 cikin makonni 2 kacal (bioRxiv 2022, DOI:10.1101/2022.07.20.500902).
Masana ilmin halittu a Makarantar Likitanci ta Jami'ar Washington (UW) suna taimakawafaɗaɗa ƙarfin ƙwayoyin halitta na kwamfutoci fiye da samfurin yanayita hanyar koyar da injunan da za su gabatar da sunadaran da aka keɓance daga farko. David Baker na UW da tawagarsa sun ƙirƙiri sabuwar kayan aikin AI wanda zai iya tsara sunadaran ta hanyar ko dai a maimaita haɓakawa akan umarni masu sauƙi ko kuma ta hanyar cike gibin da ke tsakanin zaɓaɓɓun sassan tsarin da ke akwai (Kimiyya2022, DOI:10.1126/science.abn2100). Ƙungiyar ta kuma ƙaddamar da wani sabon shiri, ProteinMPNN, wanda zai iya farawa daga siffofi na 3D da haɗuwa na ƙananan furotin da yawa sannan a tantance jerin amino acid da ake buƙata don yin su yadda ya kamata (Kimiyya2022, DOI:10.1126/kimiyya.ƙara2187;10.1126/kimiyya.ƙara1964Waɗannan algorithms masu ƙwarewa a fannin sinadarai na iya taimaka wa masana kimiyya wajen gina zane-zane don sunadaran wucin gadi waɗanda za a iya amfani da su a cikin sabbin kayan halitta da magunguna.
Daraja: Ian C. Haydon/Cibiyar Tsarin Sunadaran UW
Algorithms na koyon na'ura suna taimaka wa masana kimiyya su yi mafarkin sabbin furotin tare da la'akari da takamaiman ayyuka.
Yayin da burin masana kimiyyar lissafi ke ƙaruwa, haka nan kwamfutocin da ake amfani da su wajen kwaikwayon duniyar kwayoyin halitta ke ƙaruwa. A dakin gwaje-gwaje na ƙasa na Oak Ridge (ORNL), masana kimiyyar sinadarai sun fara hango ɗaya daga cikin manyan kwamfutoci mafi ƙarfi da aka taɓa ginawa.Babban kwamfuta na ORNL, Frontier, ya fara aiki a watan Disamba., yana cikin na'urori na farko da suka ƙididdige ayyukan iyo sama da quintillion 1 a kowace daƙiƙa, wani ɓangaren lissafin lissafi. Wannan saurin lissafi ya ninka na zakaran da ke kan mulki, babban kwamfuta Fugaku a Japan sau uku. A shekara mai zuwa, ƙarin dakunan gwaje-gwaje na ƙasa guda biyu suna shirin fara fitar da kwamfutocin exascale a Amurka. Ƙarfin kwamfuta mai yawa na waɗannan na'urori na zamani zai ba wa masana kimiyyar sinadarai damar kwaikwayon manyan tsarin kwayoyin halitta da kuma tsawon lokaci. Bayanan da aka tattara daga waɗannan samfuran na iya taimaka wa masu bincike wajen tura iyakokin abin da zai yiwu a fannin sinadarai ta hanyar rage gibin da ke tsakanin martanin da ke cikin kwalba da kuma kwaikwayon kama-da-wane da ake amfani da su don yin kwaikwayon su. "Muna kan wani lokaci inda za mu iya fara yin tambayoyi game da abin da ya ɓace daga hanyoyin ka'idoji ko samfuranmu waɗanda za su kusantar da mu ga abin da gwaji ke gaya mana gaskiya ne," in ji Theresa Windus, masanin kimiyyar sinadarai a Jami'ar Jihar Iowa kuma shugabar aikin Exascale Computing Project, ga C&EN a watan Satumba. Kwaikwayon da ake yi akan kwamfutocin esascale na iya taimaka wa masana kimiyyar sinadarai ƙirƙirar sabbin hanyoyin samar da mai da kuma tsara sabbin kayan da za su iya jure wa yanayi.
A faɗin ƙasar, a Menlo Park, California, ɗakin gwaje-gwaje na SLAC National Accelerator yana girka kayan aikiHaɓakawa mai kyau zuwa Linac Coherent Light Source (LCLS)wanda zai iya ba wa masana kimiyyar sinadarai damar zurfafa bincike cikin duniyar atoms da electrons mai sauri. An gina wannan cibiyar ne a kan wani siginar layi mai tsawon kilomita 3, wanda sassansa aka sanyaya shi da helium mai ruwa har zuwa 2K, don samar da wani nau'in hasken da ke da haske mai kyau, mai sauri wanda ake kira X-ray free-electron laser (XFEL). Masana kimiyyar sinadarai sun yi amfani da karfin kayan aikin don yin fina-finan kwayoyin halitta waɗanda suka ba su damar kallon ayyuka da yawa, kamar haɗin sinadarai da ke samar da enzymes na photosynthesis. "A cikin walƙiya ta femtosecond, za ku iya ganin atoms suna tsaye cak, haɗin atom guda ɗaya yana karyewa," in ji Leora Dresselhaus-Marais, masanin kimiyyar kayan aiki tare da alƙawarin haɗin gwiwa a Jami'ar Stanford da SLAC, ga C&EN a watan Yuli. Haɓakawa ga LCLS zai kuma ba wa masana kimiyya damar daidaita kuzarin X-rays mafi kyau lokacin da sabbin damar suka fara samuwa a farkon shekara mai zuwa.
Daraja: Dakin Gwaji na Ƙasa na SLAC
An gina na'urar hasken X-ray ta dakin gwaje-gwajen SLAC ta ƙasa a kan na'urar hanzarta layi mai tsawon kilomita 3 a Menlo Park, California.
A wannan shekarar, masana kimiyya sun kuma ga irin ƙarfin da na'urar hangen nesa ta sararin samaniya ta James Webb (JWST) da aka daɗe ana jira za ta iya bayarwa don bayyana wannan na'urar hangen nesa ta sararin samaniya.sarkakiyar sinadarai ta duniyarmuNASA da abokan hulɗarta—Hukumar Sararin Samaniya ta Turai, Hukumar Sararin Samaniya ta Kanada, da Cibiyar Kimiyya ta Telescope ta Sararin Samaniya—sun riga sun fitar da hotuna da dama, tun daga hotunan taurari masu ban sha'awa har zuwa yatsun hannu na tsoffin taurari. An yi wa madubin hangen nesa na infrared na dala biliyan 10 ado da kayan aikin kimiyya da aka tsara don bincika zurfin tarihin sararin samaniyarmu. Shekaru da dama da suka gabata, JWST ta riga ta yi fice wajen tsammanin injiniyoyinta ta hanyar ɗaukar hoton wani tauraron dan adam mai juyawa kamar yadda ya bayyana shekaru biliyan 4.6 da suka gabata, tare da sa hannun iskar oxygen, neon, da sauran ƙwayoyin zarra. Masana kimiyya sun kuma auna sa hannun gajimare masu tururi da hazo a kan wani duniyar waje, suna samar da bayanai da za su iya taimakawa masana ilmin taurari su nemi duniyoyin da za su iya zama a bayan Duniya.
Lokacin Saƙo: Fabrairu-07-2023