Ua hoʻonui nā mea hana nui i ka kemika nui i ka makahiki 2022
Ua kōkua nā ʻikepili nui a me nā mea hana koʻikoʻi i nā kānaka ʻepekema e hoʻoponopono i ka kemika ma kahi pae nui i kēia makahiki
eʻAriana Remmel
Hōʻaiʻē: Hale Hoʻokele Kamepiula ʻo Oak Ridge ma ORNL
ʻO ka supercomputer Frontier ma Oak Ridge National Laboratory ka mea mua o kahi hanauna hou o nā mīkini e kōkua i nā mea kemika e hana i nā hoʻohālike molekala i ʻoi aku ka paʻakikī ma mua o ka wā ma mua.
Ua hana nā kānaka ʻepekema i nā ʻike nui me nā mea hana nui i ka makahiki 2022. Ma ke kūkulu ʻana ma luna o ke ʻano hou o ka naʻauao hana akamai i nā kemika, ua hana nā mea noiʻi i nā holomua nui, e aʻo ana i nā kamepiula e wānana i nā ʻano protein ma kahi pae i ʻike ʻole ʻia. I Iulai, ua paʻi ka hui ʻo Alphabet ʻo DeepMind i kahi waihona ʻikepili e loaʻa ana nā ʻano oaneane nā protein i ʻike ʻia—200 miliona a ʻoi aku nā protein pākahi mai nā ʻano he 100 miliona a ʻoi aku—e like me ka wānana a ka algorithm aʻo mīkini ʻo AlphaFold. A laila, i Nowemapa, ua hōʻike ka ʻoihana ʻenehana ʻo Meta i kona holomua i ka ʻenehana wānana protein me kahi algorithm AI i kapa ʻiaESMoldMa kahi noiʻi preprint i nānā ʻole ʻia e nā hoa, ua hōʻike nā kānaka noiʻi Meta ʻaʻole pololei kā lākou algorithm hou e like me AlphaFold akā ʻoi aku ka wikiwiki. ʻO ka wikiwiki i hoʻonui ʻia ʻo ia hoʻi hiki i nā kānaka noiʻi ke wānana i 600 miliona mau hale i loko o 2 mau pule wale nō (bioRxiv 2022, DOI:10.1101/2022.07.20.500902).
Ke kōkua nei nā mea ʻepekema olaola ma ke Kula Lapaʻau o ke Kulanui o Wakinekona (UW)e hoʻonui i nā hiki biochemical o nā kamepiula ma mua o ke kumu hoʻohālike o ke kūlohelohema ke aʻo ʻana i nā mīkini e hāpai i nā protein i hana kūikawā ʻia mai ka wā ʻole. Ua hana ʻo David Baker o UW a me kāna hui i kahi mea hana AI hou e hiki ke hoʻolālā i nā protein ma o ka hoʻomaikaʻi pinepine ʻana i nā ʻōkuhi maʻalahi a i ʻole ma ka hoʻopiha ʻana i nā hakahaka ma waena o nā ʻāpana i koho ʻia o kahi ʻano i kū nei (ʻEpekema2022, DOI:10.1126/ʻepekema.abn2100). Ua hoʻomaka pū ka hui i kahi papahana hou, ʻo ProteinMPNN, hiki ke hoʻomaka mai nā ʻano 3D i hoʻolālā ʻia a me nā ʻākoakoa o nā subunits protein he nui a laila hoʻoholo i nā moʻo amino acid e pono ai e hana iā lākou me ka maikaʻi (ʻEpekema2022, DOI:10.1126/ʻepekema.add2187;10.1126/ʻepekema.add1964Hiki i kēia mau algorithms akamai i ka biochemically ke kōkua i nā kānaka ʻepekema i ke kūkulu ʻana i nā blueprint no nā protein artificial i hiki ke hoʻohana ʻia i nā biomaterials hou a me nā lāʻau lapaʻau.
Hōʻaiʻē: Ian C. Haydon/UW Institute for Protein Design
Ke kōkua nei nā algorithm aʻo mīkini i nā kānaka ʻepekema e noʻonoʻo i nā protein hou me nā hana kikoʻī i ka noʻonoʻo.
I ka ulu ʻana o nā makemake o nā kemika helu, pēlā nō hoʻi nā kamepiula i hoʻohana ʻia e hoʻohālike i ke ao molekala. Ma Oak Ridge National Laboratory (ORNL), ua loaʻa i nā kemika kahi ʻike mua i kekahi o nā supercomputers ikaika loa i kūkulu ʻia.ʻO ka kamepiula nui exascale a ORNL, ʻo Frontier, ʻo ia kekahi o nā mīkini mua e helu i nā hana lana ma mua o 1 quintillion i kēlā me kēia kekona, kahi ʻāpana o ka helu helu helu. ʻO kēlā wikiwiki helu ʻekolu manawa ka wikiwiki o ka poʻokela e noho aliʻi nei, ʻo ka supercomputer Fugaku ma Iapana. I ka makahiki aʻe, ʻelua mau keʻena hoʻokolohua aupuni e hoʻolālā e hoʻomaka i nā kamepiula exascale ma US. ʻO ka mana kamepiula nui o kēia mau mīkini kiʻekiʻe loa e ʻae i nā chemists e hoʻohālike i nā ʻōnaehana molekala nui aʻe a ma nā manawa lōʻihi. Hiki i ka ʻikepili i hōʻiliʻili ʻia mai kēlā mau hiʻohiʻona ke kōkua i nā mea noiʻi e hoʻokuke i nā palena o ka mea hiki ke hana ʻia i ka kemika ma ka hoʻohaiki ʻana i ka hakahaka ma waena o nā hopena i loko o kahi ʻōmole a me nā simulations virtual i hoʻohana ʻia e hoʻohālike iā lākou. "Aia mākou i kahi manawa e hiki ai iā mākou ke hoʻomaka e nīnau maoli e pili ana i ka mea i nalowale mai kā mākou mau ʻano hana theoretical a i ʻole nā hoʻohālike e hoʻokokoke aku iā mākou i ka mea a kahi hoʻokolohua e haʻi mai nei iā mākou he ʻoiaʻiʻo," wahi a Theresa Windus, he chemist computational ma ke Kulanui ʻo Iowa State a me ke alakaʻi papahana me ka Exascale Computing Project, iā C&EN i Kepakemapa. Hiki i nā hoʻohālikelike e holo ana ma nā kamepiula exascale ke kōkua i nā mea kemika e hana i nā kumu wahie hou a hoʻolālā i nā mea hana hou e kū pono ana i ke aniau.
Ma ka ʻāina holoʻokoʻa, ma Menlo Park, Kaleponi, ke hoʻokomo nei ka SLAC National Accelerator Laboratorynā hoʻonui supercool i ka Linac Coherent Light Source (LCLS)hiki i nā kemika ke nānā hohonu i loko o ke ao wikiwiki loa o nā ʻātoma a me nā electrons. Ua kūkulu ʻia ka hale ma luna o kahi mea hoʻolalelale linear 3 km, kahi i hoʻomaʻalili ʻia me ka helium wai a hiki i 2 K, e hana i kahi ʻano kumu kukui superbright, superfast i kapa ʻia he X-ray free-electron laser (XFEL). Ua hoʻohana nā kemika i nā pulse ikaika o nā mea hana e hana i nā kiʻiʻoniʻoni molekala i hiki ai iā lākou ke nānā i nā kaʻina hana he nui, e like me ka hoʻokumu ʻana o nā pilina kemika a me nā enzymes photosynthetic e hana ana. "Ma kahi flash femtosecond, hiki iā ʻoe ke ʻike i nā ʻātoma e kū mālie ana, e haki ana nā pilina atomic hoʻokahi," wahi a Leora Dresselhaus-Marais, he ʻepekema mea me nā koho hui ma ke Kulanui ʻo Stanford a me SLAC, iā C&EN i Iulai. ʻO nā hoʻonui ʻana i ka LCLS e ʻae pū i nā ʻepekema e hoʻoponopono maikaʻi i nā ikehu o nā X-ray ke loaʻa nā hiki hou i ka hoʻomaka o ka makahiki aʻe.
Hōʻaiʻē: Ke Keʻena Hoʻoikaika Lahui SLAC
Ua kūkulu ʻia ka laser X-ray o ka SLAC National Accelerator Laboratory ma luna o kahi accelerator linear 3 km ma Menlo Park, Kaleponi.
I kēia makahiki, ua ʻike pū nā kānaka ʻepekema i ka mana o ka James Webb Space Telescope (JWST) i kali lōʻihi ʻia no ka hōʻike ʻana i kaka paʻakikī kemika o ko kākou ao holoʻokoʻa. Ua hoʻokuʻu mua ʻo NASA a me kāna mau hoa—ʻo ka European Space Agency, ka Canadian Space Agency, a me ka Space Telescope Science Institute—i nā ʻumi o nā kiʻi, mai nā kiʻi kupaianaha o nā nebulae hōkū a hiki i nā manamana lima kumu o nā galaxies kahiko. Ua hoʻonani ʻia ka telescope infrared $10 biliona me nā hui o nā mea hana ʻepekema i hoʻolālā ʻia e ʻimi i ka mōʻaukala hohonu o ko kākou ao holoʻokoʻa. He mau makahiki i ka hana ʻia ʻana, ua ʻoi aku ka maikaʻi o ka JWST ma mua o nā mea i manaʻo ʻia e kāna mau ʻenekinia ma ke kiʻi ʻana i kahi kiʻi o kahi galaxy wili e like me kona ʻike ʻia ʻana he 4.6 biliona mau makahiki i hala, me nā pūlima spectroscopic o ka oxygen, neon, a me nā ʻātoma ʻē aʻe. Ua ana pū nā kānaka ʻepekema i nā pūlima o nā ao mahu a me ka noe ma kahi exoplanet, e hāʻawi ana i ka ʻikepili e hiki ke kōkua i nā astrobiologists e ʻimi i nā honua noho ma waho o ka Honua.
Ka manawa hoʻouna: Pepeluali-07-2023