A novel procedure for selection of molecular descriptors: QSAR model for mutagenicity of nitroaromatic compounds.

Nitroaromatic compounds (NACs) stand out as pervasive organic pollutants, prompting an imperative need to investigate their hazardous effects. Computational chemistry methods play a crucial role in this exploration, offering a safer and more time-efficient approach, mandated by various legislations. In this study, our focus lay on the development of transparent, interpretable, reproducible, and publicly available methodologies aimed at deriving quantitative structure-activity relationship models and testing them by modelling the mutagenicity of NACs against the Salmonella typhimurium TA100 strain.

Reduction of CO in the presence of light excited-state hydride transfer reaction in a NADPH-inspired derivative.

The photo-catalytic reduction of CO into chemical feedstocks using solar energy has attracted vast interest in environmental science because of global warming. Based on our previous study on the CO complex with one of the benzimidazoline (BI) derivatives, we explore the photochemical reduction of CO in one of the benzimidazoline derivatives (1,3-dimethyl-5,6-diol-2,3-dihydro-1-benzimidazole) by quantum-chemical methods. Our results reveal that carbon dioxide can be reduced to formate (HCOO) by a hydride transfer reaction in the excited state of this complex of benzimidazoline derivative and CO.

Experimental and theoretical study of the effect of different functionalities of graphene oxide/polymer composites on selective CO capture.

There is a constant need for versatile technologies to reduce the continuously increasing concentration of CO in the atmosphere, able to provide effective solutions under different conditions (temperature, pressure) and composition of the flue gas. In this work, a combination of graphene oxide (GO) and functionalized waterborne polymer particles was investigated, as versatile and promising candidates for CO capture application, with the aim to develop an easily scalable, inexpensive, and environmentally friendly CO capture technology. There are huge possibilities of different functional monomers that can be selected to functionalize the polymer particles and to provide CO-philicity to the composite nanostructures.

Light-driven reduction of CO: thermodynamics and kinetics of hydride transfer reactions in benzimidazoline derivatives.

CO capture, conversion and storage belong to the holy grail of environmental science. We therefore explore an important photochemical hydride transfer reaction of benzimidazoline derivatives with CO in a polar solvent (dimethylsulfoxide) by quantum-chemical methods. While the excited electronic state undergoing hydride transfer to formate (HCOO) shows a higher reaction path barrier compared to the ground state, a charge-transfer can occur in the near-UV region with nearly barrierless access to the products involving a conical intersection between both electronic states.

Systemic and Ophthalmic Manifestations in Different Types of Refractive Errors in Patients with Down Syndrome.

This study aims to investigate the prevalence of systemic and ophthalmic manifestations in different refractive groups in children and young adults with Down syndrome (DS). : The study was a population-based, cross-sectional study that included 141 Caucasian children and young adults with DS. They were classified into the following three groups: myopia DS group (37 subjects, mean age 15.

Effect of the swelling degree on the non-isothermal dehydration kinetics of a poly(acrylic acid)--gelatine hydrogel.

The kinetics of non-isothermal dehydration of a poly(acrylic acid)--gelatine hydrogel swollen to different swelling degrees is investigated. The thermogravimetric curves are recorded at different heating rates in the interval from 5 K mol to 20 K mol within the temperature range from ambient temperature to 480 K. It is found that all kinetics curves can be described using the Weibull function.

Comparison of efficacy and safety of parenteral versus parenteral and oral glucocorticoid therapy in Graves' orbitopathy.

Background/aims: The most effective and safe treatment protocol for Graves' orbitopathy (GO) needs to be further assessed. The aim of the present study was to evaluate the efficacy, safety and outcome of parenteral versus parenteral and oral glucocorticoid (GC) protocols in euthyroid patients with untreated and active moderate to severe GO.

Methods: This was a retrospective observational study in 140 patients comparing intravenous GC pulses only (IVGC group, 74 patients, 51 ± 11 years) with historical controls of combined oral and intravenous GC therapy (CombGC group, 66 patients, 49 ± 10 years, P = ns).

Is there a potential link between keratoconus and autism spectrum disorders?: A case report and literature review.

Rationale: Eye rubbing (ER) is a proven factor that can trigger the onset and progression of keratoconus (KC). Apart from allergy, ER is a repetitive motor stereotypy. Eye rubbing is frequently observed in children with autism spectrum disorders (ASDs) and in individuals who may be at risk for developing KC.

Methodologies for Assessing Disease Tolerance in Pigs.

Features of intensive farming can seriously threaten pig homeostasis, well-being and productivity. Disease tolerance of an organism is the adaptive ability in preserving homeostasis and at the same time limiting the detrimental impact that infection can inflict on its health and performance without affecting pathogen burden . While disease resistance (DRs) can be assessed measuring appropriately the pathogen burden within the host, the tolerance cannot be quantified easily.

Endophthalmitis Following Strabismus Surgery: IPOSC Global Study.

Purpose: To examine the characteristics of patients with endophthalmitis after strabismus surgery (PSSE), the characteristics of the strabismus surgery, treatment, and prognosis as reported by pediatric ophthalmologists who are members of the American Association for Pediatric Ophthalmology and Strabismus (AAOPS) around the world.

Methods: An email communication was sent to all members of AAPOS. The email included a web link to a survey that included 34 questions that examined the characteristics of patients with endophthalmitis after strabismus surgery.

INTERMITTENT EXOTROPIA COURSE IN FRONTONASAL DYSPLASIA AND SEVERE ORBITAL HYPERTELORISM: CASE REPORT.

Introduction: Frontonasal dysplasia is a rare condition of congenital structure malformations of the midface. Ophthalmologic abnormalities have been estimated to occur in 87% of cases of frontonasal dysplasia.

Case Report: We report a case of type I frontonsal dysplasia in a 15-year old boy after the correction of severe hypertelorism, median nasal cleft w~ith a broad nasal root and associated decompensated intermittent exotropia with overaction.

Ophthalmia neonatorum treatment and prophylaxis: IPOSC global study.

Introduction: Characteristics of ophthalmia neonatorum (ON) amongst paediatric ophthalmologists remain unclear. The purpose of this current study is to examine the incidence, diagnosis, treatment, and prophylaxis of ON cases presenting to members of the American Association of Paediatric Ophthalmology and Strabismus (AAPOS).

Methods: An email containing a web link to a survey was sent to all members of AAPOS.

Ophthalmic manifestations in children and young adults with Down syndrome and congenital heart defects.

Purpose: To investigate whether different types of ocular manifestations are associated with congenital heart disease (CHD) in a large Caucasian population of children and young adults with Down syndrome (DS).

Methods: Population-based, case-control study which included 185 subjects with DS (mean age 13.2 ± 7.

Theoretical study of the molecular properties of dimethylanthracenes as properties for the prediction of their biodegradation and mutagenicity.

There is little information available on methyl derivatives of anthracene and their interaction with the enzymes of bacterial consortia that could be found in petroleum sludge. In this study a theoretical investigation of all dimethylanthracenes (DMA) isomers and their relation to biodegradation are presented. Equilibrium geometries, ionization potentials (IP), electronic affinities (EA), dipole moments and electronic dipole polarizabilities of DMA isomers calculated by Density Functional Theory (DFT) methods are reported.

Efficacy and safety of combined parenteral and oral steroid therapy in Graves' orbitopathy.

Objective: Glucocorticoids (GC) are the treatment of choice for moderate-to-severe and active Graves' orbitopathy (GO), but optimal treatment is still . The aim of the present study was to analyze the efficacy and tolerability of combined parenteral GC pulse therapy followed by oral GC in the interpulse period.

Design: The study included 50 patients (48 ± 10 years; 37 female) with untreated, active and moderate-to-severe GO.

The molecular properties of nitrobenzanthrone isomers and their mutagenic activities.

The mutagenic activity of five mono-substituted nitrobenzanthrones (NBA) has been determined in the Ames assay (Takamura-Enya et al., 2006). In the present study, a theoretical investigation of the electronic properties of all mono-substituted NBA isomers and their relation to mutagenic activity are presented.

Morphometric characteristics of optic disc in patients with myopia and primary open-angle glaucoma.

Background/aim: Primary open-angle glaucoma is a multifactorial and progressive neuropathy, characterised by the acquired loss of ganglion cells of the retina and their axons. One of the risk factors for primary open-angle glaucoma is myopia over 5 diopters (D). The aim of our work was to investigate two groups of patients with primary open-angle glaucoma and myopia by using confocal scanning laser ophthalmoscopy, and to find out if the size of refractive error influences optic disk morfometric characteristics.

The effect of intraocular pressure on visual field after trabeculectomy in patients with primary open angle glaucoma.

Purpose: To compare the mean intraocular pressure (IOP), peak IOP and percentage reduction in IOP in the first five years following trabeculectomy between the patients with progressed visual field loss and the patients with stable visual fields.

Material And Methods: Thirty-six eyes of 36 patients were followed for five years after their first trabeculectomy with tonometry and automated perimetry (Octopus 500EZ, program G1). The rate of change of the visual field was measured by linear regression analysis of the mean sensitivity value (dB) of each field test versus time (month).

[Orbital decompression in Graves' orbitopathy].

Introduction: This paper was aimed at presenting our experience and results in the surgical management for proptosis in patients with Graves' orbitopathy.

Material And Methods: This is a retrospective, interventional, non-comparative case series review. Seventeen eyes often patients underwent orbital decompression between 2008 and 2009.

Duane type I retraction syndrome associated with Wyburn-Mason syndrome.

Purpose: Our aim is to report the co-existence of Duane's retraction syndrome and Wyburn-Mason syndrome, a rare condition characterized by arteriovenous malformations (AVMs) in the central nervous system and retina.

Methods: An 11-year-old boy was referred for evaluation of strabismus present since birth. On examination his uncorrected visual acuity was 6/6 in each eye, with small angle left eye esotropia in the primary position, ipsilateral face turn, abduction deficit, lid fissure narrowing in adduction and widening in abduction; plus typical features of left-sided type I Duane syndrome were present.

[Influence of initial visual field sensitivity on visual field loss progression in open angle glaucoma].

Introduction: It is important to know the risk factors for visual field defect progression in order to predict the future development of glaucoma.

Objective: To investigate the influence of visual field initial sensitivity on the rate of visual field progression.

Methods: A minimum of five visual fields were performed using computerized perimetry (Octopus) over a mean followup 4-year period (48.

Comparison of postoperative pain and satisfaction after dacryocystorhinostomy in patients operated on under local and general anesthesia.

Background: There has been only 1 study on postoperative pain after external dacryocystorhinostomy (DCR) that compared pain between 2 groups of patients; 1 group received local anesthesia and the other received general anesthesia. To further characterize the relationship between these 2 types of anesthesia and postoperative pain, we designed a study in which a single patient received these 2 different anesthesia modalities for a short interval on 2 different sides.

Material/methods: There were 50 participants in this study.

Strabismus, refractive errors and nystagmus in children and young adults with Down syndrome.

Purpose: The aims of the present population-based, cross-sectional study were to examine the frequency and type of strabismus, refractive errors and nystagmus in children and young adults with Down syndrome (DS) in Macedonia and Croatia.

Methods: A total of 170 unselected children and young adults with DS aged 1-34 years were examined for ocular findings. The ocular examination included: a visual acuity assessment, cycloplegic refraction, ocular alignment and ocular motility.