Manyan kayan aikin sun haɓaka manyan sinadarai a cikin 2022
Saitunan bayanai masu girma da manyan kayan aiki sun taimaka wa masana kimiyya su magance sinadarai a kan babban sikelin wannan shekara
taAriana Remmel
Kiredit: Kayan aikin Lissafin Jagorancin Oak Ridge a ORNL
The Frontier supercomputer a Oak Ridge National Laboratory shine farkon sabon ƙarni na injuna waɗanda zasu taimaka wa masana kimiyya su ɗauki kwaikwaiyon ƙwayoyin cuta waɗanda suka fi rikitarwa fiye da kowane lokaci.
Masana kimiyya sun yi babban bincike tare da manyan kayan aiki a cikin 2022. Gina kan yanayin kwanan nan na ingantacciyar sinadarai na wucin gadi, masu bincike sun sami ci gaba mai girma, suna koyar da kwamfutoci don hasashen tsarin furotin akan sikelin da ba a taɓa gani ba.A watan Yuli, kamfanin DeepMind mallakar Alphabet ya buga bayanan da ke ɗauke da sifofinkusan dukkanin sunadaran da aka sani-Miliyan 200 da sunadaran mutum ɗaya daga nau'ikan sama da miliyan 100-kamar yadda na'urar koyon algorithm AlphaFold ta annabta.Sannan, a watan Nuwamba, kamfanin fasaha na Meta ya nuna ci gabansa a fasahar tsinkayar furotin tare da AI algorithm da ake kiraESMFold.A cikin binciken riga-kafi wanda har yanzu ba a sake duba takwarorinsu ba, masu binciken Meta sun ba da rahoton cewa sabon algorithm nasu bai kai daidai kamar AlphaFold ba amma yana da sauri.Ƙarfafa saurin yana nufin cewa masu binciken zasu iya yin hasashen tsarin 600 miliyan a cikin makonni 2 kawai (bioRxiv 2022, DOI:10.1101/2022.07.20.500902).
Masanan halittu a Makarantar Magunguna ta Jami'ar Washington (UW) suna taimakawafaɗaɗa ƙarfin sinadarai na kwamfutoci fiye da samfurin yanayita hanyar injunan koyarwa don ba da shawarar sunadaran sunadaran daga karce.UW's David Baker da tawagarsa sun ƙirƙiri sabon kayan aikin AI wanda zai iya ƙirƙira sunadaran ta hanyar haɓakawa akai-akai akan sauƙaƙan faɗakarwa ko ta hanyar cike giɓi tsakanin zaɓaɓɓun sassa na tsarin da ake dasu (Kimiyya2022, DOI:10.1126/kimiyya.abn2100).Har ila yau, ƙungiyar ta ƙaddamar da wani sabon shiri, ProteinMPNN, wanda zai iya farawa daga tsararrun sifofi na 3D da tarukan rukunin furotin da yawa sannan kuma tantance jerin amino acid da ake buƙata don samar da su cikin inganci (Kimiyya2022, DOI:10.1126/kimiyya.add2187;10.1126/kimiyya.add1964).Waɗannan algorithms masu ilimin halitta na iya taimaka wa masana kimiyya wajen gina zane-zane na sunadaran wucin gadi waɗanda za a iya amfani da su a cikin sabbin kayan aikin halitta da magunguna.
Credit: Ian C. Haydon/UW Cibiyar Ƙirƙirar Protein
Algorithyms na koyon injin suna taimaka wa masana kimiyya suyi mafarkin sabbin sunadaran tare da takamaiman ayyuka a zuciya.
Yayin da burin masana kimiyyar lissafi ke girma, haka kwamfutocin da ake amfani da su don kwaikwaya duniyar kwayoyin ke karuwa.A dakin gwaje-gwaje na kasa na Oak Ridge (ORNL), masanan kimiyya sun sami hangen nesa na farko a ɗayan manyan kwamfutoci masu ƙarfi da aka taɓa ginawa.ORNL's exascale supercomputer, Frontier, yana cikin injina na farko don ƙididdige ayyukan sama da quintillion 1 a cikin daƙiƙa guda, rukunin lissafin lissafin.Wannan saurin na'ura mai kwakwalwa ya ninka sau uku da sauri fiye da zakaran damben, Fugaku na kasar Japan.A cikin shekara mai zuwa, ƙarin dakunan gwaje-gwaje na ƙasa guda biyu suna shirin fara fara ɓarna kwamfutoci a Amurka.Ƙarfin ƙarfin kwamfuta na waɗannan na'urori na zamani zai ba da damar masana kimiyya su kwaikwayi manyan tsarin kwayoyin halitta da kuma tsawon lokaci.Bayanan da aka tattara daga waɗannan samfuran na iya taimaka wa masu bincike tura iyakokin abin da zai yiwu a cikin sinadarai ta hanyar taƙaita tazarar da ke tsakanin halayen da ke cikin faifai da simintin kama-da-wane da aka yi amfani da su don ƙirar su."Muna kan lokacin da za mu fara yin tambayoyi da gaske game da menene abin da ya ɓace daga hanyoyin iliminmu ko ƙirar da za su kusantar da mu ga abin da gwaji ke gaya mana gaskiya ne," Theresa Windus, masanin kimiyyar lissafi a Iowa Jami'ar Jiha da jagorancin aikin tare da Exascale Computing Project, ya gaya wa C&EN a watan Satumba.Simulators da ke gudana akan kwamfutoci masu tsauri na iya taimaka wa masana kimiyya su ƙirƙira sabbin hanyoyin samar da man fetur da ƙirƙira sabbin kayan juriyar yanayi.
A ko'ina cikin ƙasar, a cikin Park Menlo, California, SLAC National Accelerator Laboratory yana girkasupercool haɓakawa zuwa Linac Coherent Light Source (LCLS)wanda zai iya baiwa masanan kimiyya damar zurfafa zurfafa zurfafa cikin duniyar atom da electrons.An gina ginin a kan na'ura mai sauri mai tsayi mai nisan kilomita 3, sassan da aka sanyaya su da helium ruwa zuwa 2K, don samar da nau'in haske mai haske, mafi girman haske mai suna X-ray Laser free-electron (XFEL).Masanan sinadarai sun yi amfani da bugun jini mai ƙarfi na kayan aikin don yin fina-finai na kwayoyin halitta waɗanda suka ba su damar kallon ayyuka da yawa, kamar haɗin haɗin sinadarai da kuma enzymes na photoynthetic da ke aiki.Leora Dresselhaus-Marais, masanin kimiyyar kayan aiki tare da alƙawuran haɗin gwiwa a Jami'ar Stanford da SLAC, ta gaya wa C&EN a watan Yuli cewa "A cikin walƙiya na biyu na femtosecond, za ku iya ganin atom ɗin sun tsaya cak, guda ɗaya na atomic bond yana karye."Haɓaka zuwa LCLS kuma za ta ba wa masana kimiyya damar inganta ƙarfin hasken X-ray lokacin da sabbin abubuwan za su kasance a farkon shekara mai zuwa.
Credit: SLAC National Accelerator Laboratory
SLAC National Accelerator Laboratory's X-ray Laser an gina shi akan na'urar hanzari mai tsayin kilomita 3 a cikin Menlo Park, California.
A wannan shekara, masana kimiyya sun ga irin ƙarfin da aka dade ana jira na James Webb Space Telescope (JWST) zai iya bayyanawa.hadadden sinadarai na duniyar mu.NASA da abokan huldarta—Hukumar Kula da Sararin Samaniya ta Turai, Hukumar Kula da Sararin Samaniya ta Kanada, da Cibiyar Kimiyyar Tauraron Sararin Samaniya—sun riga sun fitar da hotuna da dama, daga hotuna masu ban sha'awa na taurarin nebulae zuwa ainihin hotunan yatsu na tsoffin taurari.Na'urar hangen nesa ta infrared na dala biliyan 10 an ƙawata shi da manyan kayan aikin kimiyya da aka tsara don bincika zurfin tarihin sararin samaniyarmu.Shekaru da yawa a cikin yin hakan, JWST ta riga ta cika tsammanin injiniyoyinta ta hanyar zana hoton tauraron taurari kamar yadda ya bayyana shekaru biliyan 4.6 da suka gabata, cikakke tare da sa hannu na iskar oxygen, neon, da sauran atom.Masana kimiyya sun kuma auna sa hannu na gajimare mai tururi da hazo a kan sararin samaniya, suna ba da bayanan da za su taimaka wa masana ilimin taurari su nemo abubuwan da za su iya zama bayan duniya.
Lokacin aikawa: Fabrairu-07-2023