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Subjects > Chemistry

Accurate structure prediction of biomolecular interactions with AlphaFold 3
Josh Abramson;Jonas AdlerJack DungerRichard EvansTim GreenA. PritzelOlaf RonnebergerLindsay WillmoreAndrew J BallardJoshua BambrickSebastian BodensteinDavid A EvansChia-Chun HungMichael O’NeillD. ReimanKathryn TunyasuvunakoolZachary WuAkvilė ŽemgulytėEirini ArvanitiCharles BeattieOttavia BertolliAlex BridglandAlexey CherepanovMiles CongreveA. Cowen-RiversAndrew CowieMichael FigurnovFabian B FuchsHannah GladmanRishub JainYousuf A. KhanCaroline M R LowKuba PerlinAnna PotapenkoPascal SavySukhdeep SinghA. SteculaAshok ThillaisundaramCatherine TongSergei YakneenEllen D. ZhongMichal ZielinskiAugustin ŽídekV. BapstPushmeet KohliMax JaderbergD. HassabisJ. Jumper
Nature Published 2024/05/08

Summary:

The new AlphaFold model with a substantially updated diffusion-based architecture that is capable of predicting the joint structure of complexes including proteins, nucleic acids, small molecules, ions and modified residues is described, showing that high-accuracy modelling across biomolecular space is possible within a single unified deep-learning framework.

MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation
Zhiqiang Pang;Yao LuGuangyan ZhouFiona HuiLei XuCharles ViauA. SpigelmanPatrick E. MacDonaldD. WishartShuzhao LiJianguo Xia
Nucleic Acids Research Published 2024/04/08
Benign separation, adsorption, and recovery of rare-earth Yb(III) ions with specific ligand-based composite adsorbent
Mohammed Sohrab Hossain;M. A. ShenashenMrs Eti AwualAriyan Islam RehanAdiba Islam RaseeR. WaliullahK. KubraM. SalmanM. SheikhM. HasanM. HasanAminul IslamM. KhalequeHadi M. MarwaniKhalid A. AlzahraniAbdullah M AsiriMohammed M. RahmanM. Awual
Process Safety and Environmental Protection Published 2024/05/01
A novel antibiotic class targeting the lipopolysaccharide transporter
C. Zampaloni;Patrizio MatteiKonrad BleicherLotte WintherClaudia ThäteChristian BucherJean-Michel AdamAlexander AlanineKurt E AmreinVadim BaidinChristoph BieniossekCaterina BissantzFranziska BoessCarina CantrillThomas ClairfeuilleFabian DeyPatrick Di GiorgioPauline du CastelDavid DylusPawel DzygielAntonio FeliciF. García-AlcaldeA. HaldimannMatthew LeipnerSemen A. LeynSéverine LouvelPauline MissonA. OstermanKaranbir S. PahilSébastien RigoAdrian SchäublinSebastian ScharfPetra SchmitzTheodor StollAndrej TraunerS. ZoffmannD. KahneJohn A T YoungMichael A LobritzKenneth A Bradley
Nature Published 2024/01/03

Summary:

The identification and optimization of tethered macrocyclic peptide (MCP) antibiotics with potent antibacterial activity against CRAB are reported, and zosurabalpin, a clinical candidate derived from the MCP class, effectively treats highly drug-resistant contemporary isolates of CRAB both in vitro and in mouse models of infection.

The interplay between cytokines, inflammation, and antioxidants: mechanistic insights and therapeutic potentials of various antioxidants and anti-cytokine compounds.
Nitish Kumar Bhol;M. M. BhanjadeoAnup Kumar SinghU. C. DashRakesh Ranjan OjhaSanatan MajhiA. DuttaroyA. B. Jena
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie Published 2024/07/24

Summary:

A comprehensive understanding of cytokine-mediated inflammatory pathways and the interplay with antioxidants is paramount for developing natural therapeutic agents targeting inflammation-related disorders and helping to improve clinical outcomes and enhance the quality of life for patients.

Effect of metal organic framework alginate aerogel composite sponge on adsorption of tartrazine from aqueous solutions: Adsorption models, thermodynamics and optimization via Box-Behnken design
M. El‐Desouky;AbdulAziz A. AlayyafiG. Al-HazmiA. A. El-Bindary
Journal of Molecular Liquids Published 2024/04/01
Towards sustainable hydrogen and ammonia internal combustion engines: Challenges and opportunities
Mohammed El-Adawy;M. NemitallahA. Abdelhafez
Fuel Published 2024/05/01
Synthesis and characterization of metal–organic frameworks based on thorium for the effective removal of 2,4-dichlorophenylacetic pesticide from water: Batch adsorption and Box-Behnken Design optimization, and evaluation of reusability
Amnah Mohammed Alsuhaibani;AbdulAziz A. AlayyafiLamia A. AlbedairM. El‐DesoukyA. A. El-Bindary
Journal of Molecular Liquids Published 2024/02/01
Tuning the solvation structure with salts for stable sodium-metal batteries
Jiarui He;A. BhargavLaisuo SuJulia LambJohn S. OkasinskiWoochul ShinA. Manthiram
Nature Energy Published 2024/02/19
PubChem 2025 update.
Sunghwan Kim;Jie ChenTiejun ChengAsta GindulyteJiali HeSiqian HeQingliang LiBenjamin A ShoemakerPaul A. ThiessenBo YuLeonid ZaslavskyJian ZhangEvan E. Bolton
Nucleic acids research Published 2024/11/18

Summary:

In the past two years, significant updates were made to PubChem, including the co-occurrence data underlying the literature knowledge panel, enabling users to exploit semantic web technologies to explore entity relationships based on the co-occurrences in the scientific literature.

Precious Metal Free Hydrogen Evolution Catalyst Design and Application
A. A. Feidenhans'l;Yagya N. RegmiChao WeiDong XiaJ. KibsgaardLaurie A. King
Chemical Reviews Published 2024/04/25
A comprehensive review of recent advances in alkaline water electrolysis for hydrogen production
S. Sebbahi;A. AssilaA. Alaoui BelghitiS. LaasriSavaş KayaE. HlilSamir RachidiA. Hajjaji
International Journal of Hydrogen Energy Published 2024/09/01
Electrolyte-assisted polarization leading to enhanced charge separation and solar-to-hydrogen conversion efficiency of seawater splitting
Yiyang Li;Hui ZhouSonghua CaiD. PrabhakaranWentian NiuA. LargeG. HeldRobert A. TaylorXin‐Ping WuS. Tsang
Nature Catalysis Published 2024/01/04
Synthesis of high-performance supercapacitor electrode materials by hydrothermal route based on ZnSe/MnSe composite
Mukhtiar Hussain;B. M. AlotaibiA. AlrowailyHaifa A. AlyousefM. AlotibyM. AbdullahA. Al-sehemiA. HenaishZubair AhmadS. Aman
Journal of Physics and Chemistry of Solids Published 2024/02/01
The latest progress in the design and application of semiconductor photocatalysis systems for degradation of environmental pollutants in wastewater: Mechanism insight and theoretical calculations
Zaid H. Jabbar;B. GraimedSaad H. AmmarDoaa A. SabitAya A. NajimAhmed Y. RadeefAthraa G. Taher
Materials Science in Semiconductor Processing Published 2024/04/01
Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction
Jan Vavra;Gaétan P. L. RamonaF. DattilaA. KormányosTatiana PriamushkoPetru P. AlbertiniA. LoiudiceS. CherevkoN. LópezR. Buonsanti
Nature Catalysis Published 2024/01/03
Multifunctional sulfonium-based treatment for perovskite solar cells with less than 1% efficiency loss over 4,500-h operational stability tests
Jiajia Suo;Bowen YangE. MosconiDmitry BogachukT. DohertyK. FrohnaD. KubickiF. FuYeonJu KimO. Er‐rajiTiankai ZhangLorenzo BaldinelliLukas WagnerA. TiwariFeng GaoA. HinschS. StranksF. De AngelisA. Hagfeldt
Nature Energy Published 2024/01/04
Chitosan-nano CuO composite for removal of mercury (II): Box-Behnken design optimization and adsorption mechanism.
G. Al-Hazmi;AbdulAziz A. AlayyafiM. El‐DesoukyA. A. El-Bindary
International journal of biological macromolecules Published 2024/01/01
Efficient adsorption of fluorescein dye from aqueous solutions by Al/Th-MOF bimetal-organic frameworks: Adsorption isotherm, kinetics, DFT computation, and optimization via Box-Behnken design
N. Alshammari;J. AlnawmasiAlya M AlotaibiO. A. AlshammariMay Abdullah AbomutiNadia H. ElsayedA. A. El-Bindary
Process Safety and Environmental Protection Published 2024/10/01
A new antibiotic traps lipopolysaccharide in its intermembrane transporter
Karanbir S. Pahil;M. S. GilmanVadim BaidinThomas ClairfeuillePatrizio MatteiChristoph BieniossekFabian DeyDieter MuriRemo BaettigMichael A LobritzKenneth A BradleyA. KruseD. Kahne
Nature Published 2024/01/03

Summary:

These findings identify an unusual mechanism of lipid transport inhibition, reveal a druggable conformation of the Lpt transporter and provide the foundation for extending this class of antibiotics to other Gram-negative pathogens.

Manipulating the diffusion energy barrier at the lithium metal electrolyte interface for dendrite-free long-life batteries
Jyotshna Pokharel;A. CresceBharat PantMoon Young YangAshim GurungWei HeAbiral BaniyaB. LamsalZhongjiu YangStephen GentXiaojun XianYe CaoWilliam A. GoddardKang XuYue Zhou
Nature Communications Published 2024/04/10
Guava seed activated carbon loaded calcium alginate aerogel for the adsorption of diclofenac sodium: Characterization, isotherm, kinetics, and optimization via Box-Behnken design.
G. Al-Hazmi;AbdulAziz A. AlayyafiM. El‐DesoukyA. A. El-Bindary
International journal of biological macromolecules Published 2024/02/01
Structure-Property-Performance Relationship of Vanadium- and Manganese-based Metal-Organic Frameworks and their derivatives for Energy Storage and Conversion Applications
Reza Abazari;Soheila SanatiA. NanjundanQiyou WangDeepak P. DubalMin Liu
Journal of Materials Chemistry A
Advanced microcrystalline nanocellulose-based nanofiltration membranes for the efficient treatment of wastewater contaminated with cationic dyes
Ayman K. El‐Sawaf;A. A. NassarA. A. El Aziz ElfikyMahmoud F. Mubarak
Polymer Bulletin Published 2024/05/14
Coordination environment dominated catalytic selectivity of photocatalytic hydrogen and oxygen reduction over switchable gallium and nitrogen active sites
Chunqiang Zhuang;Weiming LiYuan ChangShijie LiYihong ZhangYuanli LiJunfeng GaoGe ChenZhenhui Kang
Journal of Materials Chemistry A
Complete biosynthesis of the potent vaccine adjuvant QS-21
Laetitia B B Martin;Shingo KikuchiM. RejžekC. OwenJames ReedA. OrmeR. MisraAmr El-DemerdashLionel HillHannah HodgsonYuzhong LiuJay D. KeaslingRobert A. FieldA. TrumanA. Osbourn
Nature Chemical Biology Published 2024/01/26

Summary:

The biogenic origin of the acyl chain is reported, the series of enzymes required for its synthesis and addition and the entire 20-step pathway in tobacco are characterized and reconstitute the entire 20-step pathway in tobacco, thereby demonstrating the production of QS-21 in a heterologous expression system.

A review on heterogeneous photocatalytic materials: Mechanism, perspectives, and environmental and energy sustainability applications
A. S. Morshedy;E. M. El‐FawalTamer ZakiA. El-ZahharMajed M. AlghamdiAhmed M. A. El Naggar
Inorganic Chemistry Communications Published 2024/03/01
Nanotubes/nanorods-like structures of La-doped ZnO for degradation of Methylene Blue and Ciprofloxacin
A. Soares;F. P. AraújoJ. OsajimaY. GuerraB. C. VianaR. Peña-Garcia
Journal of Photochemistry and Photobiology A: Chemistry Published 2024/01/01
Rationally designed dual cocatalysts on ZnIn2S4 nanoflowers for photoredox coupling of benzyl alcohol oxidation with H2 evolution
Yu Wei;Yuzheng WuJun WangYonghui WuZonglin WengWei-Ya HuangKai YangJia-Lin ZhangQi LiKangqiang LuBin Han
Journal of Materials Chemistry A
Enhancing photocatalytic performance of Co-TiO2 and Mo-TiO2-based catalysts through defect engineering and doping: A study on the degradation of organic pollutants under UV light
Mubarak A. Eldoma;Saleh O. AlaswadMohamed A. MahmoudIsam Y. QudsiehMohamed HassanOmer Y. BakatherGaber A. ElawadiAhmed F. F. AbouatiaaMohammad S. AlomarMustafa S. ElhassanIslam G. AlhindawyZeyad M. Ahmed
Journal of Photochemistry and Photobiology A: Chemistry Published 2024/01/01
Stress relaxation properties of calcium silicate hydrate: a molecular dynamics study
Zhicheng Geng;Shengwen TangYang WangH. AZhen HeKai WuLei Wang
Journal of Zhejiang University-SCIENCE A Published 2024/02/01
Advancements in nanomaterials for nanosensors: a comprehensive review
Moustafa A. Darwish;Walaa Abd‐ElaziemA. ElsheikhAbdelhameed A. A. Zayed
Nanoscale Advances Published 2024/05/24
Complete biosynthesis of QS-21 in engineered yeast
Yuzhong Liu;Xixi ZhaoFei GanXiaoyue ChenKai DengSamantha A CroweGraham A. HudsonMichael S BelcherMatthias SchmidtM. C. T. AstolfiS. KosinaBo PangMinglong ShaoJing YinSasilada SirirungruangA. IavaroneJames ReedLaetitia B B MartinAmr El-DemerdashShingo KikuchiR. MisraXiaomeng LiangM. CronceXiulai ChenChunjun ZhanRamu KakumanuE. BaidooYan ChenChristopher J. PetzoldTrent R. NorthenA. OsbournHenrik V. SchellerJay D. Keasling
Nature Published 2024/05/08

Summary:

This work demonstrates the complete biosynthesis of QS-21 and its precursors, as well as structural derivatives, in engineered yeast strains, and produces structural analogues of QS-21 using this biosynthetic platform.

Core-shell flame retardants based on Chitosan@MMT coated ammonia polyphosphate for enhancing flame retardancy of polyurethane
Con Shi;Mei WanJiahao DuanXiaodong QianHonglei CheJian LiFei RenJunyi LiLing Yang
Composites Part A: Applied Science and Manufacturing Published 2024/01/01
Effective synthesis and characterization of citric acid cross-linking of modified ferrous metal-organic framework and chitosan nanocomposite sponge for Th(IV) elimination: Adsorption isotherms, kinetic analysis, and optimization by Box-Behnken design.
G. H. Al-Hazmi;Lamia A. AlbedairRaedah A. S. AlatawiA. M. AlsuhaibaniA. A. H. BukhariA. A. El-Bindary
International journal of biological macromolecules Published 2024/10/01
Modulation of active surface sites on Ni-Fe-S by dynamic hydrogen bubble template method for energy-saving hydrogen production
Amirreza Fathollahi;Taghi ShahrabiGh. Barati Darband
Journal of Materials Chemistry A
SiO2 assisted Cu0–Cu+–NH2 composite interfaces for efficient CO2 electroreduction to C2+ products
Zi-Yang Zhang;Hao TianHan JiaoXin WangLeiming BianYuan LiuNithima KhaorapapongY. YamauchiZhong-Li Wang
Journal of Materials Chemistry A
Strong synergistic effects between P/N-containing supramolecular microplates and aluminum diethylphosphinate for fire-retardant PA6
Yixia Lu;Jiabing FengDeqi YiHongyan XieZhiguang XuCheng-Fei CaoS. HuoHao WangP. Song
Composites Part A: Applied Science and Manufacturing Published 2024/01/01
Advances in silver nanoparticles: a comprehensive review on their potential as antimicrobial agents and their mechanisms of action elucidated by proteomics
Adriana S. Rodrigues;J.G.S. BatistaMurilo Á. V. RodriguesV. ThipeL. A. MinariniPatricia S. LopesA. B. Lugão
Frontiers in Microbiology Published 2024/07/31

Summary:

The proteomic mechanisms by which AgNPs exert their antimicrobial effects are investigated, with a special focus on their activity against planktonic bacteria and in biofilms and the issue of resistance to antibiotics is addressed.

Nanocrystal Assemblies: Current Advances and Open Problems.
Carlos L Bassani;Greg van AndersU. BaninD. BaranovQian ChenMarjolein DijkstraM. DimitriyevEfi EfratiJ. FaraudoO. GangN. GastonR. GolestanianG. I. Guerrero-GarcíaMichael GruenwaldA. Haji-AkbariMaria IbáñezM. KargTobias KrausByeongdu LeeR. V. Van LehnR. MacfarlaneB. MognettiA. NikoubashmanSaeed OsatO. PrezhdoGrant M. RotskoffL. SaizAn-Chang ShiS. SkrabalakI. SmalyukhMario TagliazucchiD. TalapinA. TkachenkoSergei TretiakD. VakninA. Widmer‐CooperGerard C. L. WongXingchen YeShan ZhouE. RabaniMichael EngelA. Travesset
ACS nano Published 2024/05/30
Fabrication, Physicochemical characterization and theoretical studies of some new mixed ligands complexes based on N-(1H-benzimidazol-2-yl)-guanidine and 1, 10-phenanthroline: DNA interaction, biological applications and molecular docking approach
A. Abu‐Dief;Tarek El‐DabeaR. El‐KhatibA. AbdouI. BarnawiH. A. AlshehriKhalaf Al‐GhamdiM. A. E. A. A. El‐Remaily
Journal of Molecular Structure Published 2024/04/01
Rational engineering of S-scheme CeO2/g-C3N4 heterojunctions for effective photocatalytic destruction of rhodamine B dye under natural solar radiations
Ali Alsulmi;Nagy N. MohammedMohamed M. HassanMohamed A. EltawilA.E. AminMichel FahmyAyman SultanM. A. Ahmed
Colloids and Surfaces A: Physicochemical and Engineering Aspects Published 2024/05/01
Facile synthesis of new metal-organic framework/chitosan composite sponge for Hg(II) removal: Characterization, adsorption efficiency, and optimization using Box-Behnken design.
Zehba A. Al‐Ahmed;Mona AlhasaniM. AljohaniRazan M. SnariHawra A. AlghashamN. M. AlatawiA. KeshkNashwa M. El‐Metwaly
International journal of biological macromolecules Published 2024/01/01
Development of Mn doped CeTe as an environmental purifier for photodegradation of noxious methylene blue dye in water
Saeed D. Alahmari;Sarah A. AlsalhiM. AbdullahAbdullah G. Al-SehemiA. HenaishZubair AhmadS. Aman
Journal of Physics and Chemistry of Solids Published 2024/05/01
The Second Laser Revolution in Chemistry: Emerging Laser Technologies for Precise Fabrication of Multifunctional Nanomaterials and Nanostructures
A. A. Manshina;I. TumkinE. KhairullinaM. MizoshiriAndreas OstendorfS. KulinichS. MakarovA. KuchmizhakE. Gurevich
Advanced Functional Materials Published 2024/07/26
Electrolyte Engineering for the Mass Exfoliation of Graphene Oxide Across Wide Oxidation Degrees
Huili Ren;Xiaopei XiaYingzhi SunYi ZhaiZongzheng ZhangJiahao WuJing LiMingjie Liu
Journal of Materials Chemistry A
Enhanced photocatalytic activity of green synthesized zinc oxide nanoparticles using low-cost plant extracts
Sahar A. Mousa;D. A. WissaH. HassanA. A. EbnalwaledS. A. Khairy
Scientific Reports Published 2024/07/19
An innovative diatomite-polypyrrole composite for highly efficient Cr (VI) removal through optimized adsorption via surface response methodology
D. Mazkad;A. El IdrissiS. E. MarraneN. LazarM. El ouardiOthmane DardariBadr-Eddine ChannabO. LayachiSalaheddine FarsadAmal BaQaisE. M. LotfiH. A. Ahsaine
Colloids and Surfaces A: Physicochemical and Engineering Aspects Published 2024/01/01
Chemistry, bioavailability, bioactivity, nutritional aspects and human health benefits of polyphenols: A comprehensive review.
M. El‐Saadony;Tao YangA. SaadS. S. AlkafaasS. S. ElkafasGehad S. EldeebDina Mostafa MohammedH. SalemSameh A. KormaSamah A. LoutfyMohammad Y. AlshahranAhmed Ezzat AhmedWalid F. A. MosaTaia A. Abd El-MageedAtef F. AhmedMohamed A. FahmyMarawan K. El-TarabilyReda M. MahmoudSynan F. AbuQamarKhaled A. El-TarabilyJ. M. Lorenzo
International journal of biological macromolecules Published 2024/07/01

Summary:

The mechanisms by which complex polyphenols act as antioxidative, anti-inflammatory, and anticancer agents have been discussed and their role in food enrichment is discussed.

N, P co-doped graphene-supported transition monometallic nanoparticles for highly efficient hydrogen evolution by acid electrolysis of water
Fengshun Wu;Li ZengAn PeiYingliang FengLihua Zhu
Journal of Materials Chemistry A

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