Results 51 to 60 of about 363,660 (280)

Molecular Editing Reveals a Bilobalide Chemotype that Attenuates Prolyl Endopeptidase (PREP)‐Linked Neuroinflammation

Advanced Science, EarlyView.
Molecular editing of bilobalide uncovers BB56, a PREP‐engaging chemotype with enhanced anti‐inflammatory activity in microglia. Integrated CETSA‐MS, SAR, and pathway analyses link BB56 to attenuation of p38 MAPK/NF‐κB and NLRP3‐associated inflammatory signaling, highlighting bilobalide editing as a strategy for developing neuroinflammation‐modulating ...
Chanin Sillapachaiyaporn, Wenjing Wang, Yao Qin, Lili Yan, Stephan Scheeff, Xu He, Qiong Wu, Yue Lin, Jinsai Shang, Xin Ye, Jing Liu, Kailei Sun, Chun Wai Yeung, Junzhe Huang, Zhenghui Chen, Xiaodong Liu, Yiqun Geng, Shannon Wing Ngor Au, Bonaventure Y. Ip, Ho Ko, Billy Wai‐Lung Ng   +20 more
wiley   +1 more source

A G4 Approach To Computing The Hammett Substituent Constants σₚ, σₘ, σ⁻, σ⁺, And σ⁺ₘ

, 2023
By performing appropriate empirical scaling of G4 energy differences, it is possible to calculate Hammett substituent constants σₚ, σₘ, σ⁻, σ⁺, and σ⁺ₘ with a typical accuracy (mean absolute error) of ±0.1.
Paul R. Rablen, Yett, Ariana, , \u2721, Rablen, Paul R., Ariana Yett   +3 more
core   +1 more source

Electrochemically Driven Regioselective Radical Functionalization of Allenes: Scope and Mechanistic Insights

Advanced Science, EarlyView.
Allenes emerge as powerful platforms for electrochemical functionalization through radical pathways. Selective radical addition at the central carbon triggers anodic oxidation and intramolecular cyclization, enabling efficient synthesis of oxazolines and oxazolidine‐2‐imines without external oxidants.
Pranjal Pyne, Prateek Saini, Rohel Hoque, Shivam Pandey, Srinivasan Ramakrishnan, Chandra M. R. Volla   +5 more
wiley   +1 more source

Multivariate analysis of hydrophobic descriptors

ADMET and DMPK, 2014
Multivariate approaches like principal component analysis (PCA) are powerful tools to investigate hydrophobic descriptors and to discriminate between intrinsic hydrophobicity and polar contributions as hydrogen bonds and other electronic effects.
Stefan Dove
doaj   +1 more source

The correlation of Hammett substituent and Brownstein solvent constants with photochromic properties of triarylmethane dye leucocyanides [PDF]

, 1979
Five triarylmethane leucocyanides were synthesized from their parent dyes, and a photochromic test apparatus was designed and fabricated. The leucocyanides were tested for sensitivity and fade time in six solvents.
Bayley, Robert
core  

Chemometrical Analysis of Substituent Effects. V. ortho Effect

, 1994
The dissociation constants of nineteen ortho substituted benzoic acids have been determined in eight organic solvents (methanol, ethanol, acetone, dimethyl sulfoxide, dimethylformamide, acetonitrile, pyridine, 1,2-dichloroethane). The correlation between
Josef Liška, Oldřich Pytela
core   +1 more source

Nickel‐Catalyzed Three‐Component Difluoroalkylation‐Amination for the Direct Access to Anti‐Inflammatory β‐Difluoroalkyl Amines

Advanced Science, EarlyView.
A nickel‐catalyzed three‐component reductive fluoroalkylation‐amination strategy of N‐vinylamides for the direct access to the α‐amidyl‐β‐difluoroalkyl amines was reported here. The synthetic method features with broad substrate scope, mild conditions, high functional group tolerance, and convenience to handle.
Chang Xu, Fangting Ma, Fan Ding, Luyan Wang, Yunxi Li, Yunzhi He, Xingang Zhang, Siyu He, Dandan Liu   +8 more
wiley   +1 more source

Theoretical study of substituent effects on structural properties of arylazo pyridone dyes [PDF]

, 2014
Quantum chemical calculations performed by the density functional theory (DFT) were used to determine the structural parameters of arylazo pyridone dyes.
Lončarević, Davor, Zlatar, Matija, Dostanić, Jasmina   +2 more
core   +3 more sources

Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations

, 2019
In an attempt to develop predictive models for Hansch substituent constants for less common substituents, neural network QSPR (Quantitative Structure−Property Relationship) studies were conducted to correlate Hansch substituent constants for hundreds of ...
Sung-Sau So (1846084), Ting-Lan Chiu (1484452)   +1 more
core   +1 more source

Deciphering the Crystallinity‐Dependent Sensitivity of Charge Injection in n‐Channel Organic Transistors: Reliable Characterization and Optimized Performance

Advanced Science, EarlyView.
Precise characterization of n‐type organic semiconductors necessitates decoupling interfacial constraints from intrinsic charge transport. This work reveals that disordered polymers are particularly vulnerable to contact‐limited bottlenecks compared to their crystalline counterparts.
Walid Boukhili, Chan Zhang, Jianeng Ma, Changwoo Yu, Chee Leong Tan, Huabin Sun, Zhihao Yu, Guangan Yang, Xiang Wan, Li Zhu, Yong Xu, Liyang Yu, Ruipeng Li, Seung‐Hoon Lee, Zhuping Fei, Dongyoon Khim   +15 more
wiley   +1 more source