Best‐practice DFT protocols for basic molecular computational chemistry
Nowadays, many chemical investigations are supported by routine calculations of molecular
structures, reaction energies, barrier heights, and spectroscopic properties. The lion's share …
structures, reaction energies, barrier heights, and spectroscopic properties. The lion's share …
Near infrared photothermal conversion materials: Mechanism, preparation, and photothermal cancer therapy applications
J Li, W Zhang, W Ji, J Wang, N Wang, W Wu… - Journal of Materials …, 2021 - pubs.rsc.org
Photothermal therapy (PTT) has been widely applied in cancer therapy as a result of its non-
invasive, localized treatment and good therapeutic effect. In general, the final therapeutic …
invasive, localized treatment and good therapeutic effect. In general, the final therapeutic …
Antibiotic‐free antibacterial strategies enabled by nanomaterials: progress and perspectives
Bacterial infection is one of the top ten leading causes of death globally and the worst killer
in low‐income countries. The overuse of antibiotics leads to ever‐increasing antibiotic …
in low‐income countries. The overuse of antibiotics leads to ever‐increasing antibiotic …
Plasmonic photothermal nanoparticles for biomedical applications
Recent advances of plasmonic nanoparticles include fascinating developments in the fields
of energy, catalyst chemistry, optics, biotechnology, and medicine. The plasmonic …
of energy, catalyst chemistry, optics, biotechnology, and medicine. The plasmonic …
Photothermal therapy and photoacoustic imaging via nanotheranostics in fighting cancer
The nonradiative conversion of light energy into heat (photothermal therapy, PTT) or sound
energy (photoacoustic imaging, PAI) has been intensively investigated for the treatment and …
energy (photoacoustic imaging, PAI) has been intensively investigated for the treatment and …
Role of gold nanoparticles in advanced biomedical applications
Gold nanoparticles (GNPs) have generated keen interest among researchers in recent years
due to their excellent physicochemical properties. In general, GNPs are biocompatible …
due to their excellent physicochemical properties. In general, GNPs are biocompatible …
Engineering of a dual-modal phototherapeutic nanoplatform for single NIR laser-triggered tumor therapy
M Zhang, X Qin, W Xu, Y Wang, Y Song, S Garg… - Journal of Colloid and …, 2021 - Elsevier
Theranostic nanoplatforms integrating simultaneously photodynamic therapy (PDT) and
photothermal therapy (PTT) exhibit intrinsic advantages in tumor therapy due to distinct …
photothermal therapy (PTT) exhibit intrinsic advantages in tumor therapy due to distinct …
Bionanoparticles in cancer imaging, diagnosis, and treatment
Biological molecules such as DNA, proteins, and lipids can be assembled into naturally
existing nanoparticles, such as bacterial viruses (also called bacteriophages or phages) …
existing nanoparticles, such as bacterial viruses (also called bacteriophages or phages) …
Mechanism of H2O2 Decomposition on Transition Metal Oxide Surfaces
We performed an experimental and density functional theory (DFT) investigation of the
reactions of H2O2 with ZrO2, TiO2, and Y2O3. In the experimental study we determined the …
reactions of H2O2 with ZrO2, TiO2, and Y2O3. In the experimental study we determined the …
Nanotools for sepsis diagnosis and treatment
L Papafilippou, A Claxton, P Dark… - Advanced …, 2021 - Wiley Online Library
Sepsis is one of the leading causes of death worldwide with high mortality rates and a
pathological complexity hindering early and accurate diagnosis. Today, laboratory culture …
pathological complexity hindering early and accurate diagnosis. Today, laboratory culture …