EFMC: Trends in Medicinal Chemistry and Chemical Biology.

Ground-breaking research in disease biology and continuous efforts in method development have uncovered a range of potential new drug targets. Increasingly, the drug discovery process is informed by technologies involving chemical probes as tools. Applications for chemical probes comprise target identification and assessment, as well as the qualification of small molecules as chemical starting points and drug candidates.

Sustainable dyeing of ramie fiber with ternary reactive dye mixtures in liquid ammonia.

Liquid ammonia (LA) dyeing is a zero-effluent and sustainable dyeing technology investigated for textiles. In the present work, three bi-functional reactive dyes, Reactive Red 195 (R195), Reactive Yellow 145 (Y145), and Reactive Blue 194 (B194), were used to dye ramie fiber in liquid ammonia, and the dye exhaustion (%) and fixation (%) were compared with ramie fibers dyed with the same dyes in an aqueous dyeing method. Dyeing with a single reactive dye, a binary dye mixture, and a ternary dye mixture in liquid ammonia showed that all the dyes are highly compatible as they showed similar uptake.

Nephroprotective effects of Helianthus annuus seeds extract in gentamicin induced nephrotoxic male mice.

Acute kidney injury (AKI) causes a decrease in renal function which leads to failure in balancing electrolyte, fluid and acid-base homoeostasis. AKI is a damaging and life-threatening disorder, but it can be managed if identified earlier. This study aimed to investigate the possible nephroprotective effect of Helianthus annuus seeds extract against gentamicin (GM) induced nephrotoxicity in male mice.

Lysine methyltransferase inhibitors: where we are now.

Protein lysine methyltransferases constitute a large family of epigenetic writers that catalyse the transfer of a methyl group from the cofactor -adenosyl-l-methionine to histone- and non-histone-specific substrates. Alterations in the expression and activity of these proteins have been linked to the genesis and progress of several diseases, including cancer, neurological disorders, and growing defects, hence they represent interesting targets for new therapeutic approaches. Over the past two decades, the identification of modulators of lysine methyltransferases has increased tremendously, clarifying the role of these proteins in different physio-pathological states.

A novel compact broadband and radiation efficient antenna design for medical IoT healthcare system.

This paper investigates and develops a novel compact broadband and radiation efficient antenna design for the medical internet of things (M-IoT) healthcare system. The proposed antenna comprises of an umbrella-shaped metallic ground plane (UsMGP) and an improved radiator. A hybrid approach is employed to obtain the optimal results of antenna.

A Musculoskeletal Multibody Algorithm Based on a Novel Rheonomic Constraints Definition Applied to the Lower Limb.

In this paper, a multibody model was developed in the framework of biotribology of lower limb artificial joints. The presented algorithm performs the inverse dynamics of musculoskeletal systems with the aim to achieve a tool for the calculation of the joint reaction forces. The revolute joint, the cam joint, the spherical joint and the free joint were considered in the analyzed lower limb system by introducing a novel analytical formulation of the rheonomic constraint equations based on the quaternions theory.

The Nurse Led of stroke patient after discharge from hospital. A Systematic Review and GRADE.

Aim: Stroke is the second cause of death worldwide and the third cause of death in industrialized countries. To investigate the effectiveness of the nurse's role the management for people affected by stroke after discharge from hospital to home.

Method: A systematic review was performed.

Modeling of Eddy Current Welding of Rail: Three-Dimensional Simulation.

In this paper is given a three-dimensional numerical simulation of the eddy current welding of rails where the longitudinal two directions are not ignored. In fact, usually it is considered a model where, in the two-dimensional numerical simulation of rail heat treatment, the longitudinal directions are ignored for the magnetic induction strength and temperature, and only the axial calculation is performed. Therefore, we propose the electromagnetic-thermal coupled three-dimensional model of eddy current welding.

Accelerating the repurposing of FDA-approved drugs against coronavirus disease-19 (COVID-19).

The recent release of the main protein structures belonging to SARS CoV-2, responsible for the coronavirus disease-19 (COVID-19), strongly pushed for identifying valuable drug treatments. With this aim, we show a repurposing study on FDA-approved drugs applying a new computational protocol and introducing a novel parameter called IVS. Starting with a virtual screening against three SARS CoV-2 targets (main protease, papain-like protease, spike protein), the top-ranked molecules were reassessed combining the Inverse Virtual Screening novel approach and MM-GBSA calculations.

Iliopsoas bursitis: The role of diagnostic imaging in detection, differential diagnosis and treatment.

Iliopsoas bursitis is characterized by distension of the iliopsoas muscle bursa due to synovial fluid and/or hypertrophic synovium. Hip disease is usually associated with it, however, isolated bursitis is also present. Clinically Diagnosing iliopsoas bursitis can be difficult, and imaging is usually required to differentiate iliopsoas bursitis from other inguinal masses such as lymphadenopathy, hernias, and tumors.

Calcium pyrophosphate deposition disease: The role of imaging in their detection and in differential diagnosis of crystal arthropathies.

Calcium pyrophosphate deposition disease is characterized by the deposition of pyrophosphate crystals in various joint structures. Calcium pyrophosphate deposition disease can be linked to underlying metabolic disorders such as hemochromatosis, hyperparathyroidism, hypophosphatemia, hypomagnesaemia, and hypothyroidism, all of which increase the risk of calcium pyrophosphate deposition. We present the case of a 55-year-old male who underwent diagnostic examination for the onset of recurrent joint pain in the right knee.

Simulation of self-heating process on the nanoscale: a multiscale approach for molecular models of nanocomposite materials.

A theoretical-computational protocol to model the Joule heating process in nanocomposite materials is presented. The proposed modeling strategy is based on post processing of trajectories obtained from large scale molecular simulations. This protocol, based on molecular models, is the first one to be applied to organic nanocomposites based on carbon nanotubes (CNT).

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2).

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused about 2 million infections and is responsible for more than 100,000 deaths worldwide. To date, there is no specific drug registered to combat the disease it causes, named coronavirus disease 2019 (COVID-19). In the current study, we used an in silico approach to screen natural compounds to find potent inhibitors of the host enzyme transmembrane protease serine 2 (TMPRSS2).

Correction: Speranza, V. et al. Hierarchical Structure of iPP During Injection Molding Process with Fast Mold Temperature Evolution. 2019, , 424.

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Self-division of giant vesicles driven by an internal enzymatic reaction.

Self-division is one of the most common phenomena in living systems and one of the most important properties of life driven by internal mechanisms of cells. Design and engineering of synthetic cells from abiotic components can recreate a life-like function thus contributing to the understanding of the origin of life. Existing methods to induce the self-division of vesicles require external and non-autonomous triggers (temperature change and the addition of membrane precursors).

Self-Suspended Nanoparticles for N-Alkylation Reactions: A New Concept for Catalysis.

The catalytic activity of snowman-like and core-shell FeO/Au nanoparticles (NPs), obtained through a "wet chemistry" approach which directly restitutes nanocatalysts stable and highly active in the reaction medium, was tested towards N-alkylation reactions. The nanocatalysts were tested for the synthesis of secondary amines. The core-shell NPs, thanks to the surface properties, homogeneous dispersion and intimate connection with reagents in the catalyst medium, exhibited an excellent catalytic activity (e.

Process Induced Morphology Development of Isotactic Polypropylene on the Basis of Molecular Stretch and Mechanical Work Evolutions.

It is well known that under high shear rates polymers tend to solidify with formation of morphological elements oriented and aligned along the flow direction. On the other hand, stretched polymer chains may not have sufficient time to undergo the structuring steps, which give rise to fibrillar morphology. In the last decades, several authors have proposed a combined criterion based on both a critical shear rate and a critical mechanical work, which guaranties adequate time for molecular structuring.

Hierarchical Structure of iPP During Injection Molding Process with Fast Mold Temperature Evolution.

Mold surface temperature strongly influences the molecular orientation and morphology developed in injection molded samples. In this work, an isotactic polypropylene was injected into a rectangular mold, in which the cavity surface temperature was properly modulated during the process by an electrical heating device. The induced thermo-mechanical histories strongly influenced the morphology developed in the injection molded parts.

Poly(Lactic Acid)-Based Nanobiocomposites with Modulated Degradation Rates.

In the field of biodegradable polymers such as poly(Lactic Acid) (PLA), it is quite well known that their kinetics of hydrolysis strongly depend on the pH of the hydrolyzing medium. The idea explored during this study focused on PLA, is the addition of additives that are able to control the pH of water when it diffuses inside the polymer. For instance, acids (i.

Inactivation of an urban wastewater indigenous strain by cerium doped zinc oxide photocatalysis.

Heterogeneous photocatalysis (HPC) is a subset of Advanced Oxidation Processes (AOPs) with potential future applications in water disinfection. Herein, a zinc oxide photocatalyst was doped with cerium at various atomic ratios ranging from 0 to 0.1 Ce : Zn.

Assessment of Microbial Community Structure and Function in Serially Passaged Wastewater Electro-Bioreactor Sludge: An Approach to Enhance Sludge Settleability.

Several studies have been carried out to understand bulking phenomena and the importance of environmental factors on sludge settling characteristics. The main objective of this study was to carry out functional characterization of microbial community structure of wastewater electro-bioreactor sludge as it undergoes serial passaging in the presence or absence of a current density over 15 days. Illumina MiSeq sequencing and QIIME were used to assess sludge microbial community shifts over time.

Extract Attenuates Inflammation and Oxidative Stress in Intestinal Epithelial Cells via NF-κB Activation and Nrf2 Response.

, dried root extract, also known as , is used in traditional Chinese medicine as a tonic remedy. Moreover, it has been reported that could attenuate intestinal inflammation; however, the underlying mechanism for its anti-inflammatory activity in intestinal epithelial cells (IECs) remains unclear. In this study, we evaluated extract (5-100 µg/mL) in a model of inflammation and oxidative stress for IECs.