Results 251 to 260 of about 271,354 (322)

Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations

Advanced Science, EarlyView.
Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa, Nahoko Kuroki, Hirotoshi Mori   +2 more
wiley   +1 more source

Effects of Tensile Specimen Geometry and Gripping System on the Mechanical Stability of Ausferrite in Austempered Ductile Irons. [PDF]

Materials (Basel)
Fu L, Schiralli M, Vedani M, Olofsson J, Górny M, Govahi P, Donnini R, Losurdo M, Angella G.   +8 more
europepmc   +1 more source

Microfluidic‐Driven Lipid Nanoparticles for Improved miRNA Delivery via Endo‐Lysosomal Trafficking Optimization

Advanced Science, EarlyView.
This study investigates the impact of various post‐processing methods (filtration, sonication, dialysis, and heating) on lipid nanoparticles produced using microfluidics. The nanoparticles are designed for efficient delivery of miRNA into cells. The work highlights how processing conditions influence nanoparticle stability and quality, providing ...
Alicja Kosik‐Kozioł, Michał Pruchniewski, Daniel Rybak, Piotr Jenczyk, Karolina Zakrzewska, Magdalena Bartolewska, Sławomir Błoński, Paweł Nakielski, Filippo Pierini   +8 more
wiley   +1 more source

Optimizing China's carbon quota allocation for peak emissions: A novel AMLC framework tailored to regional dynamics. [PDF]

PLoS One
Lian L, Ma X, Wang Y, Dong Q.
europepmc   +1 more source

Ce‐Doped Lignin‐Based Nanozyme with Heat‐Activated Hydrolase Activity

Advanced Science, EarlyView.
A novel Ce‐doped lignin‐based hydrolase nanozyme (Ce‐AL) is synthesized using Ce ions coordinated with aminated industrial lignin. The Ce‐AL effectively hydrolyzes phosphate ester bonds and protein amide bonds, maintain high activity at 100°C, and successfully fights bacteria biofilms.
Xin Liu, Lijun Li, Xue Zhang, Alireza Ashori, Fubao Sun, Feng Xu, Xueming Zhang, Yao Chen   +7 more
wiley   +1 more source

Moral character and competence judgments of sexual harassers and fraudsters in academic and business contexts. [PDF]

PLoS One
Miazek K, Bocian K, Myslinska-Szarek K.
europepmc   +1 more source

A Generalized Approach for Distal C–H Arylation of Organic Building Blocks: Unveiling the Role of Counter Anion

Advanced Science, EarlyView.
We report a general strategy for meta‐selective C–H arylation using aryl iodides and a Pd(II)/Pd(IV) catalytic system guided by a removable directing group. DFT and experimental studies reveal that counter anion tuning (acetate to trifluoroacetate) significantly enhances selectivity.
Jagrit Grover, Gaurav Prakash, Astam Mandal, Devika Ghosh, Siddhartha Maiti, Claire Empel, Debabrata Maiti   +6 more
wiley   +1 more source

Challenges in Japan's dual systems of support for pediatric and adult intractable diseases. [PDF]

Intractable Rare Dis Res
Karako K, Song P.
europepmc   +1 more source

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

Advanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang, Linqiong Qiu, Hongyu Wang, Wenting Tang, Jiayang Leng, John Z. H. Zhang, Piero Procacci, Zhaoxi Sun   +7 more
wiley   +1 more source

Does green credit promote real economic development? Dual empirical evidence of scale and efficiency. [PDF]

PLoS One
Jiang S, Yuan X.
europepmc   +1 more source