Results 171 to 180 of about 9,258 (263)

Unlocking n‐alk‐1‐ynes conformers: Quantum “trigger finger” versus “stiff joint” conformations

open access: yesSmart Molecules, EarlyView.
Quantum chemical analysis reveals the unique function of n‐alk‐1‐yne terminus as a Quantum “Trigger Finger,” exhibiting two near‐isoenergetic conformers (Cs ${\mathrm{C}}_{s}$and C1 ${\mathrm{C}}_{1}$) locked by a symmetric high barrier. This contrasts with the lower asymmetric barrier of the conventional asymmetric “Stiff Joint” alkyl chain.
Ioan Bâldea
wiley   +1 more source

Artificial intelligence empowers targeted protein degradation: Core technological innovations, multi‐scenario applications, and translational prospects

open access: yesSmart Molecules, EarlyView.
AI is transforming TPD by improving the design, prediction, and optimization of degraders such as PROTACs, molecular glues, and LYTACs. This review summarizes key AI‐driven advances, highlights applications across drug discovery stages, and discusses remaining challenges and future directions for accelerating the development of therapies against ...
Shuanglin Qin   +10 more
wiley   +1 more source

APPLICATION OF PHASE CHANGE MATERIALS (PCM) TO BUILDING HEATING

open access: yesJournal of Environmental Engineering (Transactions of AIJ), 2015
openaire   +2 more sources

Nanoscopic Observation of Structural Changes After First‐Firing Behavior in W/GeTe/W Ovonic Threshold Switches Using AFM Tip–Based Local Biasing

open access: yesSmall Methods, EarlyView.
A local‐biasing system using AFM induces site‐specific threshold switching in Ge0.17Te0.83 films, enabling direct observation of crystalline/amorphous interface formation. First‐principles calculations reveal that this structural change induces Te 5p‐dominated mid‐gap states and electric field‐enhanced charge redistribution.
Young‐Min Kim   +3 more
wiley   +1 more source

Deep Eutectic Solvents as Designer Phase-Change Materials for Organic Rankine Cycle Applications. [PDF]

open access: yesACS Omega
González J   +5 more
europepmc   +1 more source

Hydrogen‐Based Reduction of Hematitic Iron Ore in a Fluidized Bed Kinetic Reactor at Elevated Pressures

open access: yessteel research international, EarlyView.
This study investigates the reduction behavior of two international iron ores, including a synthetic hematite produced by oxidation of magnetite, in a novel fluidized‐bed kinetic reactor at elevated pressures. The reduction takes place at various temperatures (650°C, 700°C, and 750°C), and various hydrogen partial pressures (30, 55, and 80 vol% H2 ...
Valentina Nigitz   +5 more
wiley   +1 more source

Multifunctional Electrospun Phase Change Material Mats for Solar-Thermal Energy Storage and Photothermal Conversion. [PDF]

open access: yesSmall Sci
Baniasadi H   +8 more
europepmc   +1 more source

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