Results 181 to 190 of about 168,133,245 (277)

Differential Water Networks Guide Selectivity Optimization of a Cell Active BPTF Inhibitor in Neuroblastoma

Angewandte Chemie, EarlyView.
BZ2 is a second‐generation Bromodomain PHD finger Transcription Factor (BPTF) inhibitor with improved selectivity over Class I and Class IV BRD off‐targets identified in our previously reported inhibitor, BZ1. Structural analyses reveal that water network engagement is key to this selectivity.
Kesavan Babu, Chun‐Ju Tsou, Sourav Das, Liying Fan, Anasuya Pal, Molly Sneddon, Timothy R. Stachowski, Priyanka Samanta, Stanley Nithianantham, Caroline Buchholz, Shi Zhang, Xiang Fu, Rahul S. Kathayat, Wenwei Lin, Yongtao Li, Lei Yang, Taosheng Chen, Marcus Fischer, Anang A. Shelat, William C. K. Pomerantz   +19 more
wiley   +2 more sources

Development of a Versatile Lipid Core for Nanostructured Lipid Carriers (NLCs) Using Design of Experiments (DoE) and Raman Mapping. [PDF]

Pharmaceutics
Rios CA, Ondei R, Breitkreitz MC.
europepmc   +1 more source

A Design of Experiments (DoE) Approach Accelerates the Optimization of Copper-Mediated ¹⁸F-Fluorination Reactions of Arylstannanes. [PDF]

Sci Rep, 2019
Bowden GD, Pichler BJ, Maurer A.
europepmc   +1 more source

Enabling Fast Charging of Lithium‐Ion Batteries With Regioisomeric Nitrile Additives for Interphase Regulation

Angewandte Chemie, EarlyView.
Fast charging and low‐temperature operation of lithium‐ion batteries (LIBs) are achieved by incorporating only 0.5 wt.% of a nitrile‐based additive into the commercial LP57 electrolyte. The additive enhances Li+ transport, stabilizes the solid‐electrolyte and cathode‐electrolyte interphases (SEI and CEI), and suppresses lithium plating.
Chen Liu, Zehao Cui, Arumugam Manthiram
wiley   +2 more sources

2³ Full Factorial Model for Particle Size Optimization of Methotrexate Loaded Chitosan Nanocarriers: A Design of Experiments (DoE) Approach. [PDF]

Biomed Res Int, 2018
Teja SPS, Damodharan N.
europepmc   +1 more source

Up to 16% Optical Carbon‐13 Hyperpolarization of Donor–Acceptor Molecules at 14.1 T

Angewandte Chemie, EarlyView.
Up to 16% 13C nuclear polarization is achieved using a rationally designed photo‐CIDNP polarizing agent (PA) in magic‐angle‐spinning NMR experiments at 14.1 T. The PA was designed using a combination of theoretical photocycle calculations and magnetic field dependent experiments to identify important new design principles.
Marcel Levien, Máté Visegrádi, Ganesan Karthikeyan, Gilles Casano, Christian Reiter, Sebastian Wegner, Armin Purea, Michael R. Wasielewski, Federico De Biasi, Olivier Ouari, Lyndon Emsley   +10 more
wiley   +2 more sources

Gain‐of‐Function Engineering of the NifEN Scaffold Into a Self‐Assembling Nitrogenase

Angewandte Chemie, EarlyView.
From scaffold to enzyme: Systematic engineering of the cofactor maturation scaffold NifEN reconstructs the P→M electron relay along with cofactor coordination and proton gating at the S2B site, converting NifEN into a functional nitrogenase capable of ATP‐dependent N2 reduction both in vitro and in vivo.
Yimo Yang, Chi Chung Lee, Steve Ortiz, Markus W. Ribbe, Yilin Hu   +4 more
wiley   +2 more sources

Thinking Outside the Binding Site: A Self‐Encapsulating Kinase Inhibitor Remodels Its Pocket to Achieve Selectivity

Angewandte Chemie International Edition, EarlyView.
To make exceptionally effective drugs, thinking “outside the binding site” is required. This work reveals that counterintuitive targeting of a kinase‐conserved region can lead to highly selective binding. Inhibitor discovery coupled to x‐ray crystallography shows that a network of noncanonical interactions and long‐range effects of distant unique amino
Nico J. Seidler, Monica R. MacDonald, Athina A. Moschopoulou, Sahba Cunningham, Tess M. Weber, Nader N. Nasief, Lorenz Mayer, Frederik W. Hacker, Ekaterina Hermann, Mareike B. Möllers, Yuliia Skliarenko, Tahereh Damghani, Abid N. Manzar, Kaly S. Lin, Ramona Rudalska, Marcia I. Goettert, Lars Zender, Daniel Dauch, Michael Forster, Stefan A. Laufer, David E. Heppner   +20 more
wiley   +1 more source

Research on Heat Transfer Enhancement of Spiral Grooved Tube Heat Exchangers Based on CFD and Artificial Intelligence

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Driven by the energy crisis and carbon neutrality goals, high‐efficiency heat exchange equipment has become a core demand in the industrial sector. The spiral grooved double‐pipe heat exchanger exhibits significant heat transfer enhancement advantages, yet it requires balancing heat transfer efficiency and pressure loss.
Yueyun Yang, Wei Li, Xiuzhi Xi, Neng Gao
wiley   +1 more source

Evaluation and Optimization of COD Removal Performance for a Domestic Wastewater Treatment Plant by Response Surface Methodology: The Case of Van Muradiye

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT In this study, the performance of the Van Muradiye Domestic Wastewater Treatment Plant was evaluated with Response Surface Methodology (RSM). The effects of pH, conductivity, dissolved oxygen (DO), and suspended solids (SS) on the chemical oxygen demand (COD) removal efficiency were evaluated using samples collected from the plant's inlet and ...
Emine Cangül, Ayşe Özgüven, Adnan Aldemir   +2 more
wiley   +1 more source