A comprehensive survey of cytotoxic active half-sandwich Ir(III) complexes: structural perspective, and mechanism of action.

Iridium(III) complexes, particularly those with piano-stool structures, have drawn a lot of interest recently as possible anticancer drugs. These complexes, which have displayed enhanced cytotoxicity and cytoselectivity compared with clinically approved drugs like cisplatin, oxaliplatin, and carboplatin, hold promising prospects for further anticancer research. Our review aims to explore the complex interplay between cytotoxic properties, cellular uptake efficiency, and intracellular distribution properties of this class of Ir(III) complexes, considering the variation of the coordination site atoms.

Insights into the cytotoxicity of photoactivatable Ru(II) carbonyl complexes towards human liver carcinoma cells.

Metal carbonyl complexes have recently been extensively studied as carbon monoxide releasing molecules (CORMs) with the potential to positively affect the biological targets by transferring trace amounts of CO. CORMs have advantageous anti-inflammatory, anti-coagulative, anti-apoptotic, and anti-proliferative properties. In this contribution, three photoactivatable ruthenium(II) carbon monoxide releasing molecules of the general formula [RuCl(CO)L] (L = (2-phenyliminomethyl)quinoline derivative), R = OH, OCH, and Cl) were synthesized and structurally characterized.

An insight into the structure of acebutolol tetraphenylborate: crystal structure and quantum chemical calculations.

Reaction between Acebutolol hydrochloride and sodium tetraphenylborate in water afforded an Acebutolol-tetraphenyl-borate complex. This ion-pair was characterized by a variety of analytical and spectroscopic tools including X-ray crystallographic analysis. Comprehensive theoretical studies including ground-state geometry optimization, Mulliken atomic charges, and vibrational analysis were executed to get an insight into the nature of the charge transfer between the donor and acceptor ions.

Visible-light-induced CO-releasing properties and cytotoxicity of a Ru(II) carbonyl complex containing 2-(pyridin-2-yl)-quinoxaline.

The photo-induced CO-releasing properties of the dark-stable complex [RuCl(CO)L] (L = 2-(pyridin-2-yl)quinoxaline) were investigated under 468 nm light exposure in the presence and absence of biomolecules such as histidine, calf thymus DNA and hen egg white lysozyme. The CO release kinetics were consistent regardless of the presence of these biomolecules, suggesting that they did not influence the CO release mechanism. The quinoxaline ligand demonstrated exceptional cytotoxicity against human acute monocytic leukemia cells (THP-1), with evidence of potential DNA damage ascertained by comet assay, while it remained non-toxic to normal kidney epithelial cells derived from African green monkey (Vero) cell lines.

A comprehensive survey of Mn(I) carbonyls as CO-releasing molecules reported over the last two decades.

Over the last two decades, manganese(I) carbonyl complexes have been widely investigated as carbon monoxide releasing molecules (CORMs) to transfer small quantities of CO to biological targets to have beneficial impacts such as preventing ischemia reperfusion injury and reducing organ transplant rejection. Furthermore, these complexes exhibit beneficial anti-coagulative, anti-apoptotic, anti-inflammatory, and anti-proliferative properties. Owing to their highly controlled substitution chemistry and oxidative durability, Mn(I) carbonyl moieties were combined with a wide range of auxiliary ligands, including biomolecules.

Insights into the photoactivatable CO releasing properties of dicarbonyl Ru(II) complex with 8-amino quinoline ligand: Experimental and theoretical studies.

Reaction between the polymeric [RuCl(CO)] and the N,N-bidentate ligand, 8-amino-quinoline (Quin), in methanol, afforded the photoactivated CO releasing molecule with the formula of trans-(Cl,Cl)-[RuCl(CO)Quin]. In the presence of biomolecules or in solvents with varying polarity and coordinating abilities, the solvatochromic characteristics and dark stability were investigated. A new board band emerged in the visible spectrum during the illumination, and its position varies according to the type of solvent used, indicating the role of the solvent in controlling the nature of the CO-depleted species.

A Perspective on Protein Structure Prediction Using Quantum Computers.

Despite the recent advancements by deep learning methods such as AlphaFold2, protein structure prediction remains a challenging problem in biomedical research. With the rapid evolution of quantum computing, it is natural to ask whether quantum computers can offer some meaningful benefits for approaching this problem. Yet, identifying specific problem instances amenable to quantum advantage and estimating the quantum resources required are equally challenging tasks.

Antimicrobial properties of triazolato terpyridine Pd(II) and Pt(II) complexes formed by [3+2] cycloaddition coupling reaction.

Modern classes of antimicrobials are crucial because most drugs in development today are basically antibiotic derivatives. Even though a large number of metal-based compounds have been studied as antimicrobial agents, relatively few studies have examined the antimicrobial properties of Pd(II) and Pt(II) compounds. The [3+2] cycloaddition reactions of [M(N)L]PF (M = Pd(II) and Pt(II); L = 4'-(2-pyridyl)-2,2':6',2″-terpyridine) with 4,4,4-trifluoro-2-butynoic acid ethyl ester gave the corresponding triazolate complexes.

Role of the auxiliary ligand in determining the genotoxicity and mode of cell death of thiosemicarbazone Pd(II) complexes.

A series of Pd(II) complexes of the general formula [PdX(NNS)] (X = Cl, Br, I, NCS and phenyl-tetrazole-thiolato; NNS = 2-quinolinecarboxyaldehyde--phenylthiosemicarbazone) was tested against four malignant cell lines for their antiproliferative properties and the outcomes were compared to those seen in normal mouse splenocytes. Various auxiliary ligands were substituted in order to investigate the impact of the character of the ligand on the cytotoxicity of this class of Pd(II) complexes. The iodo complex was the most cytotoxic compound towards the Caco-2 cell line in this study.

"But for the blind spot": Accuracy and diagnostic performance of smart watch cardiac features in pediatric patients.

Background: The Apple Watch™ (AW) offers heart rate (HR) tracking by photoplethysmography (PPG) and single-lead electrocardiographic (ECG) recordings. The accuracy of AW-HR and diagnostic performance of AW-ECGs among children during both sinus rhythm and arrhythmias have not been explored.

Objective: The purposes of this study were to assess the accuracy of AW-HR measurements compared to gold standard modalities in children during sinus rhythm and arrhythmias and to identify non-sinus rhythms using AW-ECGs.

Reactivity of azido terpyridine Pd(ii) and Pt(ii) complexes towards 4,4,4-trifluoro-2-butynoic acid: structural insight into the triazolato coordination mode.

The mono- and binuclear azido terpyridine square-planar complexes of ionic formulas, [Pd(N)L] and [Pt(N)L] (L = 1,4-bis(2,2':6',2''-terpyridin-4'yl)benzene), underwent the catalyst-free [3 + 2] cycloaddition coupling with 4,4,4-trifluoro-2-butynoic acid at ambient temperature affording the corresponding triazolate complexes. A mixture of triazolate isomers was generated by these inorganic click reactions. An increase in the solubility of the compounds was achieved by replacing the azido ligand with a triazolato ligand.

cytotoxicity of Mn(I) and Ru(II) carbonyls with a diphenyl pyridyl phosphine coligand towards leukaemia.

Human acute monocytic leukaemia cells were tested under both dark and light conditions for their susceptibility to Mn(I) and Ru(II) carbonyl complexes with a diphenyl pyridyl phosphine coligand. The Ru(II) complex (IC = 7.13 ± 0.

Sulfonate improves water solubility and cell selective toxicity and alters the lysozyme binding activity of half sandwich Rh(iii) complexes.

Introduction of the propyl-sulfonic acid group at N1 of the coordinated 2-(2-pyridyl)benzimidazole ligand (L) in [RhCl(η-CMe)L](CFSO) gives rise to a water-soluble complex, which can bind to the model protein lysozyme via non-covalent interactions. The complex shows selective moderate toxicity against Cryptococcus neoformans (MIC = 21.6-43.

Role of the ancillary ligand in controlling the lysozyme affinity and electronic properties of terpyridine -Re(CO) complexes.

The lysozyme binding affinity and the electronic properties of [ReX(CO)3(terpy-κ2N1,N2)] (X = Br- and triazolateCOOCH2CH3,CF3) were reported. The triazolate complex was prepared in a [3 + 2] cycloaddition click reaction. The bromo compound reacted with lysozyme affording adducts with Re(CO)3+ fragments, while the triazolate compound persisted.

Spectroscopic investigation of π-acceptors in the determination and photoinduced degradation of Sulfacetamide.

The presence of expired and unused Sulfacetamide (SA) drug in water led to a global need for the development of effective advanced method for the quantitative analysis and for minimizing its occurrence in the nature. To find new effective photochemical decomposition method close to that obtained by the well-known Fenton reaction, the photodegradation of SA was investigated in presence of dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and/or other common additives at two different wavelengths (365 and 256 nm). The role of DDQ in the degradation process of SA was evaluated in comparison to the other investigated π-acceptor systems (Chloranilic acid (CHL) and Picric acid (PA)).

Quantitative electroencephalographic changes and hippocampal atrophy in diabetic patients with mild cognitive impairment in Ismailia region.

Background: Cognitive decline could start or get worse among elderly patients with diabetes mellitus more than elderly without diabetes mellitus. So, those diabetic elderly patients have more risk to develop Alzheimer's disease and vascular dementia.

Patients And Methods: This study included 48 elderly, grouped into three equal groups.

Lysozyme and DNA binding affinity of Pd(ii) and Pt(ii) complexes bearing charged N,N-pyridylbenzimidazole bidentate ligands.

New cisplatin analogue Pd(ii) and Pt(ii) complexes bearing charged pyridylbenzimidazole derivatives furnished with either an alkylated sulfonate or a phosphonium side chain were synthesized, fully characterized and tested for their antimicrobial and cytotoxic activities against noncancerous human embryonic kidney cells (HEK293). The interactions with CT-DNA were investigated using UV/vis spectroscopy. Assignment of the electronic transitions was performed with the aid of TDDFT.

Whole genome sequencing identifies etiology of recurrent male intrauterine fetal death.

Objective: To identify the underlying genetic cause for recurrent intrauterine fetal death (IUFD) of males.

Methods: Whole genome sequencing was performed on DNA from five healthy obligatory carrier females and an unaffected male offspring of a multigenerational pedigree with recurrent second-trimester IUFD of males (n = 19). When documented, all deaths occurred at ≤20 weeks of gestation.

Evaluation of potential drug- drug interactions among Palestinian hemodialysis patients.

Background: The aims of this study are to find the prevalence of potential drug-drug interactions (DDIs) in patients with Hemodialysis and identify factors associated with these interactions if present.

Methods: The study was an observational- retrospective cohort study that was conducted in ten hemodialysis units in the West bank, Palestine, between June and August 2015. The data collection form was completed by interviewing the patients in addition to reviewing their medical records.

Evaluation and implementation of behavioral and educational tools that improves the patients' intentional and unintentional non-adherence to cardiovascular medications in family medicine clinics.

Objective: There are limited number of studies describing the reasons and interventions of non-adherence to cardiovascular medications in United Arab Emirates (UAE). We aimed to implement and evaluate the behavioral and educational tools that indicate the reasons of non-adherence in patients with cardiovascular diseases and improve patient's adherence to their cardiovascular medications.

Methods: In this prospective interventional study, we recruited patients (n = 300) with cardiovascular diseases from three family medicine clinics in Al Ain, UAE in 2010.

Experimental quantum annealing: case study involving the graph isomorphism problem.

Quantum annealing is a proposed combinatorial optimization technique meant to exploit quantum mechanical effects such as tunneling and entanglement. Real-world quantum annealing-based solvers require a combination of annealing and classical pre- and post-processing; at this early stage, little is known about how to partition and optimize the processing. This article presents an experimental case study of quantum annealing and some of the factors involved in real-world solvers, using a 504-qubit D-Wave Two machine and the graph isomorphism problem.