The role of microvascular tortuosity in tumor transport phenomena and future perspective for drug delivery

We tackle the fluid transport problem in vascularized tumors by solving a double Darcy model obtained via multiscale homogenization. The hydraulic conductivities of the capillary and interstitial compartments are computed solving classical problems on the representative periodic cell, which encodes details of the microvasculature. Microvascular tortuosity leads to a dramatic decrease of the capillary hydraulic conductivity, and the corresponding lowering in the pressure drop impairs tumor blood flow and consequently advection of molecules. Further perspectives for anti-cancer agents delivery are illustrated. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Correction: An exchange coupled meso–meso linked vanadyl porphyrin dimer for quantum information processing

Correction for ‘An exchange coupled meso–meso linked vanadyl porphyrin dimer for quantum information processing’ by Davide Ranieri et al., Chem. Sci., 2022, https://doi.org/10.1039/d2sc04969d.

During the editorial production of the finished article, the graphics associated with Fig. 3(a) and (b) were inadvertently switched.Open in a separate windowFig. 3Room temperature angular-dependent CW EPR X-band spectra of (a) m-[VO(TrPP)]₂ and (b) o-[VO(TrPP)]₂ for crystal rotations around three orthogonal axes. For both panels, the upper row shows the 2D experimental EPR contour plots for the three rotations, acquired with a 3° step; the lower row shows representative EPR spectra (black lines) for the three rotations – from 0° to 180° every 15° – together with the best spectral simulations (red lines) obtained by using |J| = 0.01 (0.005) cm⁻¹ and |J| = 0.05 (0.01) cm⁻¹ for (a) and (b), respectively. Experimental frequency: 9.40 GHz for (a), 9.87 GHz for (b).The intended version of Fig. 3 is shown below, and replaces that of the original article:The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.     

Unveiling Chemical Cues of Insect-Tree and Insect-Insect Interactions for the Eucalyptus Weevil and Its Egg Parasitoid by Multidimensional Gas Chromatographic Methods

Multidimensional gas chromatography is, presently, an established and powerful analytical tool, due to higher resolving power than the classical 1D chromatographic approaches. Applied to multiple areas, it allows to isolate, detect and identify a larger number of compounds present in complex matrices, even in trace amounts. Research was conducted to determine which compounds, emitted by host plants of the eucalyptus weevil, Gonipterus platensis, might mediate host selection behavior. The identification of a pheromone blend of G. platensis is presented, revealing to be more attractive to weevils of both sexes, than the individual compounds. The volatile organic compounds (VOCs) were collected by headspace solid phase microextraction (HS-SPME), MonoTrap^TM disks, and simultaneous distillation-extraction (SDE). Combining one dimensional (1D) and two-dimensional (2D) chromatographic systems—comprehensive and heart-cut two-dimensional gas chromatography (GC×GC and H/C-MD-GC, respectively) with mass spectrometry (MS) and electroantennographic (EAD) detection, enabled the selection and identification of pertinent semiochemicals which were detected by the insect antennal olfactory system. The behavioral effect of a selected blend of compounds was assessed in a two-arm olfactometer with ten parallel walking chambers, coupled to video tracking and data analysis software. An active blend, composed by cis and trans-verbenol, verbenene, myrtenol and trans-pinocarveol was achieved.     

How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly

Ruthenium-based complexes represent a new frontier in light-mediated therapeutic strategies against cancer. Here, a density functional-theory-based computational investigation, of the photophysical properties of a conjugate BODIPY-Ru(II) complex, is presented. Such a complex was reported to be a good photosensitizer for photodynamic therapy (PDT), successfully integrating the qualities of a NIR-absorbing distyryl-BODIPY dye and a PDT-active [Ru(bpy)₃]²⁺ moiety. Therefore, the behaviour of the conjugate BODIPY-Ru(II) complex was compared with those of the metal-free BODIPY chromophore and the Ru(II) complex. Absorptions spectra, excitation energies of both singlet and triplet states as well as spin–orbit-matrix elements (SOCs) were used to rationalise the experimentally observed different activities of the three potential chromophores. The outcomes evidence a limited participation of the Ru moiety in the ISC processes that justifies the small SOCs obtained for the conjugate. A plausible explanation was provided combining the computational results with the experimental evidences.     

In Vitro Bioaccessibility and Antioxidant Activity of Phenolic Compounds in Coffee-Fortified Yogurt

Yogurt is considered one of the most popular and healthy dairy products, and has been exploited as a delivery matrix for phenolic compounds. In this study, coffee powder was added to yogurt as a functional ingredient to produce coffee-fortified yogurt. Total phenolic compounds, antioxidant activity and individual hydroxycinnamic acids have been identified and quantified through mass spectrometry. The results from coffee-fortified yogurt were compared with fermented coffee and plain yogurt. Coffee-fortified yogurt had higher total phenolic content and antioxidant activity compared to plain yogurt. However, the total phenolic compounds found in coffee-fortified yogurt represented only 38.9% of the original content in coffee. Caffeoylquinic acids were the most abundant phenolic compounds in coffee. Fermented coffee and coffee-fortified yogurt displayed lower amounts of individual phenolic compounds with respect to coffee (69.8% and 52.4% of recovery, respectively). A protective effect of the yogurt matrix on total and individual coffee phenolic compounds has been observed after in vitro digestion, resulting in a higher bioaccessibility in comparison with digested fermented coffee. Moreover, coffee-fortified yogurt showed the highest antioxidant values after digestion. These findings clearly demonstrate that coffee-fortified yogurt can be considered a significant source of bioaccessible hydroxycinnamic acids, besides its health benefits as a fermented dairy product.     

From the Streets to the Judicial Evidence: Determination of Traditional Illicit Substances in Drug Seizures by a Rapid and Sensitive UHPLC-MS/MS-Based Platform

According to the 2021 World Drug Report, around 275 million people use drugs of abuse, and 36 million people suffer from addiction, fostering a thriving market for illicit substances. In Italy, 30,083 people were reported to the Judicial Authority for offenses in violation of the Italian Law D.P.R. 309/1990. These offences are sentenced after a qualitative–quantitative analysis of seized materials. Given the large quantity of seized drugs and the need to perform accurate analytical determinations, Italian forensic laboratories struggle to complete analyses in a short time, delaying the entire reporting process needed to achieve sentencing. For this purpose, an UHPLC-MS/MS-based platform was developed at the University of Milano-Bicocca to support law-enforcement authorities. Software was designed to easily manage street seizure acquisition, documentation registration, and sampling. A sensitive UHPLC-MS/MS method was fully validated for the quantification of the traditional illicit substances (cocaine, heroin, 6-MAM, morphine, amphetamine, methamphetamine, MDMA, ketamine, GHB, GBL, LSD, trans-∆9-THC, and THCA) at the ppb level. The final report is relayed to the Prefecture in 3–4 days, even within 24 h for urgent requests. The platform allows for semi-automatic data handling to minimize erroneous results for an accurate report generation by standardized procedures.     

A Comprehensive Tutorial on Localization: Algorithms and Performance Analysis Tools

This tutorial offers a comprehensive view of technological solutions and theoretical fundamentals of localization and tracking (LT) systems for wireless networks. We start with a brief classification of the most common types of LT systems, e.g. active versus passive technologies, centralized versus distributed solutions and so forth. To continue, we categorize the LT techniques based on the elementary types of position-related information, namely, connectivity, angle, distance and power-profile. The attention is then turned to the difference between active and passive LT systems, highlighting the evolution of the localization techniques. Motivated by the interests of industry and academia on distance-based active localization system, a deep review of the most common algorithms used in these systems is provided. Non-Bayesian and Bayesian techniques will be tackled and compared with numerical simulations. To list some of the proposed approaches, we mention the multidimensional scaling (MDS), the semidefinite programming (SDP) and the Kalman filter (KF) methods. To conclude the tutorial, we address the fundamental limits of the accuracy of range-based positioning. Based on the unifying framework proposed by Abel, we derive the closed-form expressions for the Cramér?CRao lower bound (CRLB), the Battacharyya Bound (BB), the Hammersley?CChapmann?CRobbins Bound (HCRB) and the Abel Hybrid Bound (AHB) in a source localization scenario. We show a comparison of the aforementioned bounds with respect to a Maximum-Likelihood estimator and explore the difference between random and regular (equi-spaced anchors) network topologies. Finally, extensions to cooperative scenarios are also discussed in connection with the concept of information-coupling existing in multitarget networks.