Results 31 to 40 of about 540,315 (294)

Identifying Viral Protein Interactions’ Order During Replication and Transcription Processes

Biophysica
This study focuses on biochemical pathways of complex biochemical formation, taking into account various thermodynamic parameters that change as the complexity and molecular weight of complex molecules increase.
Tatiana V. Koshlan, Kirill G. Kulikov
doaj   +1 more source

The dye removal from aqueous solution using polymer composite films

Applied Water Science, 2018
The composite consisted of clay and polymers like polyethylene (GCP) was used to remove methylene blue (MB) from the water. The most effective pH, temperature and initial dye concentration in adsorption process were found to be 9, 55 °C and 5 × 10−6 M ...
Fatih Şen, Özkan Demirbaş, Mehmet Harbi Çalımlı, Ayşenur Aygün, Mehmet Hakkı Alma, Mehmet Salih Nas   +5 more
doaj   +1 more source

Investigating the Complexation of a Recently Synthesized Phenothiazine with Different Metals by Density Functional Theory [PDF]

International Journal of New Chemistry, 2017
In this research, the complexation of a new recently synthesized phenothiazine with 10 different metals was evaluated by Density functional theory. At the first step, the structures of 6,15-diazabenzo[a][1,4]benzothiazino[3,2-c]phenothiazine, cations and
Mohammad Reza Jalali Sarvestani, Roya Ahmadi   +1 more
doaj   +1 more source

Size effect on thermodynamic properties of free nanocrystals

, 2008
We demonstrate that the discrete character of the vibrational spectrum of a small crystal accounts for size dependence of its thermodynamic properties and melting temperature. Using a self-consistent statistical method [Phys.
Karasevskii, A. I., Lubashenko, V. V.
core   +2 more sources

Polyakov loop and QCD thermodynamics from the gluon and ghost propagators

, 2013
We investigate quark deconfinement by calculating the effective potential of the Polyakov loop using the non-perturbative propagators in the Landau gauge measured in the finite-temperature lattice simulation.
Aguilar, Alkofer, Aouane, Binosi, Bogolubsky, Bonnet, Borsanyi, Borsanyi, Borsanyi, Boucaud, Boucaud, Boyd, Braun, Braun, Braun, Braun, Buballa, Ciminale, Cucchieri, Cucchieri, Cucchieri, Cucchieri, Dudal, Dudal, Dumitru, Dumitru, Fischer, Fischer, Fischer, Fischer, Fischer, Fischer, Fischer, Fister, Fister, Fu, Fukushima, Fukushima, Fukushima, Fukushima, Fukushima, Gattnar, Gatto, Gocksch, Hatsuda, Hatta, Herbst, Ilgenfritz, Iritani, Ishii, Kaczmarek, Kashiwa, Kashiwa, Kenji Fukushima, Kondo, Kondo, Kouji Kashiwa, Kugo, Marhauser, Megias, Pawlowski, Pawlowski, Polyakov, Ratti, Roessner, Ruggieri, Sakai, Sasaki, Schaefer, Schaefer, Schaefer, Sternbeck, von Smekal, von Smekal, Zwanziger, Zwanziger   +75 more
core   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

Finding the key transition states and intermediates controlling net reaction rates and selectivity [PDF]

, 2011
In this paper Campbell's degree of rate control is extended to introduce the concepts of degree of kinetic rate control, degree of kinetic selectivity control, degree of thermodynamic rate control and degree of thermodynamic selectivity control.
Anders Andreasen, Carsten Stegelmann
core   +2 more sources

Thermodynamic model of a solid with RKKY interaction and magnetoelastic coupling

, 2018
Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account.
Balcerzak, T., Jaščur, M., Szałowski, K.   +2 more
core   +1 more source

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source