Parameterization of palmitoylated cysteine, farnesylated cysteine, geranylgeranylated cysteine, and myristoylated glycine for the martini force field

Y Atsmon-Raz, DP Tieleman - The Journal of Physical Chemistry …, 2017 - ACS Publications
Peripheral membrane proteins go through various post-translational modifications that
covalently bind fatty acid tails to specific amino acids. These post-translational modifications …

Estimating the octanol/water partition coefficient for aliphatic organic compounds using semi-empirical electrotopological index

ES Souza, L Zaramello, CA Kuhnen, BS Junkes… - International journal of …, 2011 - mdpi.com
A new possibility for estimating the octanol/water coefficient (log P) was investigated using
only one descriptor, the semi-empirical electrotopological index (I SET). The predictability of …

GC-PPC-SAFT equation of state for VLE and LLE of hydrocarbons and oxygenated compounds. Sensitivity analysis

TB Nguyen, JC De Hemptinne, B Creton… - Industrial & …, 2013 - ACS Publications
Group-contribution polar versions of SAFT equations of state are very useful for predictive
calculations of mixtures containing diverse polar molecules. In this work, we have evaluated …

Herbicidal ionic liquids containing the acetylcholine cation

D Czuryszkiewicz, A Maćkowiak… - …, 2019 - Wiley Online Library
This study presents a new group of herbicidal ionic liquids (HILs) based on a cation occurs
commonly in nature− acetylcholine. The HILs were obtained with a high yield through ion …

The optimization of solid–liquid extraction of polyphenols from olive stone by response surface methodology

E Nakilcioğlu-Taş, S Ötleş - Journal of Food Measurement and …, 2019 - Springer
The polyphenol extract from olive stone was optimized by the simultaneous maximization of
the yield in total phenolic content (TPC), total flavonoids content (TFC), 2, 2-diphenyl-1 …

Improving GC-PPC-SAFT equation of state for LLE of hydrocarbons and oxygenated compounds with water

TB Nguyen, JC De Hemptinne, B Creton… - Fluid Phase …, 2014 - Elsevier
Abstract The GC-PPC-SAFT model has been shown to be useful for predicting the liquid–
liquid phase split with water [Nguyen-Huynh et al. Ind. Eng. Chem. Res. 50 (2011) 7467 …

Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[n]uril of Different Sizes

N Chiangraeng, H Nakano… - The Journal of …, 2023 - ACS Publications
The role of water in host–ligand binding was investigated using a combination of molecular
dynamics simulation and three-dimensional reference interaction site model theory. Three …

Including bioconcentration kinetics for the prioritization and interpretation of regulatory aquatic toxicity tests of highly hydrophobic chemicals

JH Kwon, SY Lee, HJ Kang, P Mayer… - … Science & Technology, 2016 - ACS Publications
Worldwide, regulations of chemicals require short-term toxicity data for evaluating hazards
and risks of the chemicals. Current data requirements on the registration of chemicals are …

[HTML][HTML] Efecto de las fragancias en el desempeño sensorial de productos cosméticos tipo champú

PA Lanzziano Alonso, CE Mora Huertas - Revista Colombiana de …, 2013 - scielo.org.co
En el desarrollo de cosméticos, las fragancias constituyen un factor clave en términos de la
aceptabilidad del producto por parte del consumidor. No obstante, durante la etapa de …

Biofiltration of paint solvent mixtures in two reactor types: overloading by hydrophobic components

J Paca, M Halecky, O Misiaczek, K Jones… - Journal of Industrial …, 2010 - academic.oup.com
Steady-state performance characteristics of a trickle bed reactor (TBR) and a biofilter (BF) in
loading experiments with increasing toluene/xylenes inlet concentrations while maintaining …