Proximity-induced spin-orbit coupling in phosphorene on a WSe₂ monolayer

We investigate, using first-principles methods and effective-model simulations, the spin-orbit coupling proximity effects in a bilayer heterostructure comprising phosphorene and WSe2 monolayers. We specifically analyze holes in phosphorene around the Γ point, at which we find a significant increase of the spin-orbit coupling that can be attributed to the strong hybridization of phosphorene with the WSe2bands. We also propose an effective spin-orbit model based on the C1v symmetry of the studied heterostructure. The corresponding spin-orbit field can be divided into two parts: the in-plane field, present due to the broken nonsymmorphic horizontal glide mirror plane symmetry, and the dominant out-of-plane field triggered by breaking the out-of-plane rotational symmetry of the phosphorene monolayer. Furthermore, we also demonstrate that a heterostructure with 60∘ twist angle exhibits an opposite out-of-plane spin-orbit field, indicating that the coupling can effectively be tuned by twisting. The studied phosphorene/WSe2 bilayer is a prototypical low common-symmetry heterostructure in which the proximity effect can be used to engineer the spin texture of the desired material

Evaluation of novel dendrimer-gold complex nanoparticles for theranostic application in oncology

To view the supplementary data that accompany this paper please visit the journal website at: www.tandfonline.com/doi/suppl/10.2217/nnm-2023-0355Aim: Despite some successful examples of therapeutic nanoparticles reaching clinical stages, there is still a significant need for novel formulations in order to improve the selectivity and efficacy of cancer treatment. Methods: The authors developed two novel dendrimerâ gold (Au) complex-based nanoparticles using twodifferent synthesis routes: complexation method (formulation A) and precipitation method (formulation B). Using a biomimetic cancer-on-a-chip model, the authors evaluated the possible cytotoxicity and internalization by colorectal cancer cells of dendrimerâ Au complex-based nanoparticles. Results: The results showed promising capabilities of these nanoparticles for selectively targeting cancer cells and delivering drugs, particularly for the formulation A nanoparticles. Conclusion: This work highlights the potential of dendrimerâ Au complex-based nanoparticles as a new strategy to improve the targeting of anticancer drugs.This work is financially supported by the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 952603 (http://sgabu.eu/). This article reflects only the author’s view. The Commission is not responsible for any use that may be made of the information it contains. For the experimental part of the study, we acknowledge BIONECA project – Biomaterials and advanced physical techniques for regenerative cardiology and neurology (CA16122) – and the FEDER funded project 2IQBIONEURO (0624 2IQBIONEURO 6 E). M Carvalho acknowledges her postdoctoral contract TERM RES Hub – Scientific infrastructure for Tissue Engineering and Regenerative Medicine Ref Norte-01-0145-FEDER-02219015. D Caballero acknowledges the financial support from the Portuguese Foundation for Science and Technology (FCT) under the program CEEC Individual 2017 (CEECIND/00352/2017), and the project 2MATCH (PTDC/BTM-ORG/28070/2017) funded by the Programa Operacional Regional do Norte supported by European Regional Development Funds (ERDF). This work was partially supported by IET A. F. Harvey Engineering Research Award 2018 (ENG The Cancer). The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed

Proximity-enabled control of spin-orbit coupling in phosphorene symmetrically and asymmetrically encapsulated by WSe₂ monolayers

We analyze, using first-principles calculations and the method of invariants, the spin-orbit proximity effects in trilayer heterostructures comprising phosphorene and encapsulating WSe2 monolayers. We focus on four different configurations, in which the top/bottom WSe2 monolayer is twisted by 0 or 60 degrees with respect to phosphorene and analyze the spin-splitting of phosphorene hole bands around the point. Our results show that the spin texture of phosphorene hole bands can be dramatically modified by different encapsulations of phosphorene monolayer. For a symmetrically encapsulated phosphorene, the momentum-dependent spin-orbit field has the out-of-plane component only, simulating the spin texture of phosphorenelike group-IV monochalcogenide ferroelectrics. Furthermore, we reveal that the direction of the out-of-plane spin-orbit field can be controlled by switching the twist angle from 0 to 60 degrees. Finally, we show that the spin texture in asymmetrically encapsulated phosphorene has the dominant in-plane component of the spin-orbit field, comparable to the Rashba effect in phosphorene with an applied sizable external electric field. Our results confirm that the significant modification and control of the spin texture is possible in low common-symmetry heterostructures, paving the way for using different substrates to modify spin properties in materials important for spintronics

Interrogating and Quantifying In Vitro Cancer Drug Pharmacodynamics via Agent-Based and Bayesian Monte Carlo Modelling

The effectiveness of chemotherapy in cancer cell regression is often limited by drug resistance, toxicity, and neoplasia heterogeneity. However, due to the significant complexities entailed by the many cancer growth processes, predicting the impact of interference and symmetry-breaking mechanisms is a difficult problem. To quantify and understand more about cancer drug pharmacodynamics, we combine in vitro with in silico cancer models. The anti-proliferative action of selected cytostatics is interrogated on human colorectal and breast adenocarcinoma cells, while an agent-based computational model is employed to reproduce experiments and shed light on the main therapeutic mechanisms of each chemotherapeutic agent. Multiple drug administration scenarios on each cancer cell line are simulated by varying the drug concentration, while a Bayesian-based method for model parameter optimisation is employed. Our proposed procedure of combining in vitro cancer drug screening with an in silico agent-based model successfully reproduces the impact of chemotherapeutic drugs in cancer growth behaviour, while the mechanisms of action of each drug are characterised through model-derived probabilities of cell apoptosis and division. We suggest that our approach could form the basis for the prospective generation of experimentally-derived and model-optimised pharmacological variables towards personalised cancer therapy

Diagnostic Value of Non-invasive Scoring Systems in the Prediction of Esophageal Varices in Patients with Liver Cirrhosis—Single Center Experience

Background and Objectives: Upper endoscopy is considered the gold standard for screening and diagnosis of esophageal varices (EV). Non-invasive methods for predicting EV have become a research hotspot in recent years. The aim of this study was to assess the role of non-invasive scores in predicting the presence of EV in patients with liver cirrhosis, and to determine the value of these scores in predicting the outcome of patients with cirrhosis presenting with acute variceal bleeding. Materials and Methods: A total of 386 patients with liver cirrhosis were included. The model for end-stage liver disease (MELD), aspartate aminotransferase (AST) to alanine aminotransferase (ALT) ratio (AST/ALT), AST to platelet ratio index (APRI), fibrosis-4-index (FIB-4), fibrosis index (FI), King’s Score, albumin-bilirubin (ALBI) score, and platelet-albumin-bilirubin (PALBI) score were calculated. The discriminatory capacities of the examined scores in predicting the presence of esophageal varices were tested using receiver operating characteristic (ROC) curves. Results: The ROC curve analysis showed (area under the curve) AUC values of ALBI and PALBI of 0.603, and 0.606, respectively, for the prediction of EV. APRI, MELD, PALBI, King’s, FIB-4, and ALBI scores showed statistically significant correlation with EV bleeding (p Conclusions: ALBI and PALBI scores had modest diagnostic accuracy of EVs in liver cirrhosis. APRI and MELD can be used as a reference index for the EV bleeding, and MELD score is best associated with short-term outcome in cirrhotic patients

Evaluation of Novel Dendrimer-Gold Complex Nanoparticles for Theranostic Application in Oncology - supplementary material

Supplementary figures 1-3</p

CBRN Centres of Excellence Newsletter - Volume 16

CBRN Centres of Excellence NewsletterJRC.A.7-Euratom Coordinatio