Modeling and simulation of protein–surface interactions: achievements and challenges

M Ozboyaci, DB Kokh, S Corni… - Quarterly reviews of …, 2016 - cambridge.org
Understanding protein–inorganic surface interactions is central to the rational design of new
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …

Bacteriophage capsid modification by genetic and chemical methods

CM Carmody, JM Goddard, SR Nugen - Bioconjugate chemistry, 2021 - ACS Publications
Bacteriophages are viruses whose ubiquity in nature and remarkable specificity to their host
bacteria enable an impressive and growing field of tunable biotechnologies in agriculture …

Ab initio transport properties of nanostructures from maximally localized Wannier functions

A Calzolari, N Marzari, I Souza, MB Nardelli - Physical Review B, 2004 - APS
We present a comprehensive first-principles study of the ballistic transport properties of low-
dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in …

Chiral N-Isobutyryl-cysteine Protected Gold Nanoparticles:  Preparation, Size Selection, and Optical Activity in the UV−vis and Infrared

C Gautier, T Bürgi - Journal of the American Chemical Society, 2006 - ACS Publications
We have prepared gold nanoparticles covered with N-isobutyryl-l-cysteine and N-isobutyryl-
d-cysteine, respectively. These particles with a mean particle size smaller than 2 nm are …

Ultrafast cooling of photoexcited electrons in gold nanoparticle− thiolated DNA conjugates involves the dissociation of the gold− thiol bond

PK Jain, W Qian, MA El-Sayed - Journal of the American Chemical …, 2006 - ACS Publications
Using UV− visible extinction spectroscopy and femtosecond pump− probe transient
absorption spectroscopy, we have studied the effect of femtosecond laser heating on gold …

Biosensors based on modularly designed synthetic peptides for recognition, detection and live/dead differentiation of pathogenic bacteria

X Liu, M Marrakchi, D Xu, H Dong… - Biosensors and …, 2016 - Elsevier
Rapid and sensitive detection of bacterial pathogens is critical for assessing public health,
food and environmental safety. We report the use of modularly designed and site-specifically …

Interaction of amino acids with gold and silver clusters

AH Pakiari, Z Jamshidi - The Journal of Physical Chemistry A, 2007 - ACS Publications
Binding of gold and silver clusters with amino acids (glycine and cysteine) was studied using
density functional theory (DFT). Geometries of neutral, anionic, and cationic amino acids …

Small molecule-and amino acid-induced aggregation of gold nanoparticles

HM Zakaria, A Shah, M Konieczny, JA Hoffmann… - Langmuir, 2013 - ACS Publications
To understand which organic molecules are capable of binding to gold nanoparticles and/or
inducing nanoparticle aggregation, we investigate the interaction of gold nanoparticles with …

Adsorption modes of cysteine on Au (111): Thiolate, amino-thiolate, disulfide

R Di Felice, A Selloni - The Journal of chemical physics, 2004 - pubs.aip.org
The adsorption of cysteine on the (111) surface of gold has been studied by means of
periodic supercell density-functional theory calculations. A number of different adsorption …

Improving SERS sensitivity toward trace sulfonamides: the key role of trade-off interfacial interactions among the target molecules, anions, and cations on the SERS …

Z Zhou, H Zheng, T Liu, Z **e, S Luo, G Chen… - Analytical …, 2021 - ACS Publications
In recent years, ensuring the rational use and effective control of antibiotics has been a
major focus in the eco-environment, which requires an effective monitoring method …