In(III) pyridinecarboxylate complexes: Composition, solution equilibria estimation, bioevaluation and interactions with HSA.

Two In(III) - pyridinecarboxylates ([In(Pic)(NO)(HO)] (InPic; HPic = picolinic acid), [In(HDpic)(Dpic)(HO)]·5HO (InDpic; HDpic = dipicolinic acid), have been synthesized by one-step procedure. The complexes composition was confirmed by physicochemical analyses and X-ray diffraction confirmed molecular structure of both complexes. Moreover, complex species speciation was described in both systems by potentiometry and H NMR spectroscopy and mononuclear complex species were determined; [In(Pic)] (logβ = 6.

Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach.

Silver(I) complexes with proline and hydroxyproline were synthesized and structurally characterized and crystal structure analysis shows that the formulas of the compounds are {[Ag(Pro)(NO)]NO} (AgPro) (Pro = L-proline) and {[Ag(Hyp)(NO)]NO} (AgHyp) (Hyp = -4-hydroxy-L-proline). Both complexes crystallize in the monoclinic lattice with space group 2 with a carboxylate bidentate-bridging coordination mode of the organic ligands Pro and Hyp (with NH and COO groups in zwitterionic form). Both complexes have a distorted seesaw (C) geometry around one silver(I) ion with values of 58% (AgPro) and 51% (AgHyp).

Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for F magnetic resonance imaging.

A new hexadentate 1,4,7-triazacyclononane-based ligand bearing three coordinating methylene-(2,2,2-trifluoroethyl)phosphinate pendant arms was synthesized and its coordination behaviour towards selected divalent (Mg, Ca, Mn, Fe, Co, Ni, Cu, Zn) and trivalent (Cr, Fe, Co) transition metal ions was studied. The ligand forms stable complexes with late divalent transition metal ions (from Co to Zn) and the complexes of these metal ions are formed above pH ∼3. A number of complexes with divalent metal ions were structurally characterized by means of single-crystal X-ray diffraction.

Designing Powerful Biindole-Based Inherently Chiral Selectors: Enhancing Enantiodiscrimination by Core Functionalization with Additional Coordination Elements.

Among inherently chiral selectors of axial stereogenicity, usually resulting in very good enantiodiscrimination performances, the biindole-based family has the additional advantage of very easy functionalization of the two nitrogen atoms with a variety of substituents with desirable properties. Aiming to evaluate the possibility of exploiting such feature to enhance the enantiodiscrimination ability of the archetype structure, a series of three inherently chiral monomers were designed and synthesized, characterised by a 2,2'-biindole atropisomeric core conjugated to bithiophene wings enabling fast and regular electrooligomerization, and functionalised at the nitrogen atoms with an ethyl, a methoxyethyl, or a hydroxyethyl substituent. Nitrogen alkylation was also exploited to obtain for the first time the chemical resolution of the biindole selectors without employing chiral HPLC.

Propyl-phthalimide Cyclotricatechylene-Based Chemosensor for Sulfosulfuron Detection: Hybrid Computational and Experimental Approach.

The detection of trace amounts of sulfosulfuron, a pesticide of increasing importance, has become a pressing issue, prompting the development of effective chemosensors. In this study, we functionalized cyclotricatechylene (CTC) with propyl-phthalimide due to the presence of electronegative oxygen and nitrogen binding sites. Our optimized ligand displayed the highest docking score with sulfosulfuron, and experimental studies confirmed a significant fluorescence enhancement upon its interaction with sulfosulfuron.

Phenyl-Substituted Cibalackrot Derivatives: Synthesis, Structure, and Solution Photophysics.

Three symmetrically and three unsymmetrically substituted cibalackrot (7,14-diphenyldiindolo[3,2,1-:3',2',1'-][1,5]naphthyridine-6,13-dione, ) dyes carrying two derivatized phenyl rings have been synthesized as candidates for molecular electronics and especially for singlet fission, a process of interest for solar energy conversion. Solution measurements provided singlet and triplet excitation energies and fluorescence yields and lifetimes; conformational properties were analyzed computationally. The molecular properties are close to ideal for singlet fission.

Venous Anatomy and Collateral Pathways of the Pelvis: An Angiographic Review.

The pelvic venous system is complex, with the potential for numerous pathways of collateralization. Owing to stenosis or occlusion, both thrombotic and nonthrombotic entities in the pelvis may necessitate alternate routes of venous return. Although the pelvic venous anatomy and collateral pathways may demonstrate structural variability, a number of predictable paths often can be demonstrated on the basis of the given disease and the level of obstruction.

Mindsets and Self-Concepts About Self-Regulated Learning: Their Relationships With Emotions, Strategy Knowledge, and Academic Achievement.

Being a self-regulated learner and believing that deliberate strategy use might be an effective way of overcoming learning challenges is important for achieving academic success. Learners' self-theories about their abilities might explain why some students are more inclined to engage in self-regulated learning (SRL) than others. This study aims to investigate the relationships between students' mindsets and self-concepts about SRL and their correlation with enjoyment, boredom, strategy knowledge, and academic achievements.

Luminescent Cationic Group 4 Metallocene Complexes Stabilized by Pendant N-Donor Groups.

Cationic group 4 metallocene complexes with pendant imine and pyridine donor groups were prepared as stable crystalline [B(CF)] salts either by protonation of the intramolecularly bound ketimide moiety in neutral complexes [(η-CMe){η-CHCMeCMeC(R)═N-κ}MCl] (M = Ti, Zr, Hf; R = -Bu, Ph) by PhNMeH[B(CF)] to give [(η-CMe){η-CHCMeCMeC(R)═NH-κ}MCl][B(CF)] or by chloride ligand abstraction from the complexes [(η-CMe)(η-CHCMeCHCHN)MCl] (M = Ti, Zr) by Li[B(CF)]·2.5EtO to give [(η-CMe)(η-CHCMeCHCHN-κ)MCl][B(CF)]. Solid state structures of the new compounds were established by X-ray diffraction analysis, and their electrochemical behavior was studied by cyclic voltammetry.

Regional, Layer, and Cell-Type-Specific Connectivity of the Mouse Default Mode Network.

The evolutionarily conserved default mode network (DMN) is a distributed set of brain regions coactivated during resting states that is vulnerable to brain disorders. How disease affects the DMN is unknown, but detailed anatomical descriptions could provide clues. Mice offer an opportunity to investigate structural connectivity of the DMN across spatial scales with cell-type resolution.

Storage of Cereals in Warehouses with or without Pesticides.

At a time when there is much talk of reducing pesticide use and the implementation of integrated pest management, mainly in fields and glass-houses, it is appropriate to consider how cereals in storage are handled and what measures are taken to protect them against insects and other pests. For decades, the use of various synthetic pesticides has been the basis for the proper and long-term storage of cereals, primarily free of insects and mites, but also fungi and their mycotoxins and rodents. However, due to the registered negative effects of synthetic pesticides, such as dichloro-diphenyl-trihloroethane (DDT) or methyl bromide, on human health and the environment, and the appearance of resistance to, e.

Natural Formulation Based on Diatomaceous Earth and Botanicals against Stored Product Insects.

Diatomaceous earth (DE) has long been known as a potential protectant for stored cereals against various stored product insects. Despite favorable effect for the environment and human health, DE has some negative side effects on the treated commodity. In order to minimize negative response and to improve its efficacy, this paper represents a study of developed natural formulation based on DE SilicoSec enhanced with botanicals (essential oil lavender, corn oil, and bay leaves dust) and silica gel.

A Patient's Perspective: Bridging the Transition Following Radiation Therapy for Patients with Breast Cancer.

Introduction: As the number of women surviving breast cancer grows, it becomes increasingly important to investigate their unique psychosocial and physical needs in the post-treatment period. The period of transition from patient to survivor is a time fraught with physical and emotional challenges. This qualitative study was conducted to gain insight into the perspective of breast cancer patients transitioning to survivorship after receiving RT in Alberta.

Symptom burden among Northern Alberta radiotherapy patients with advanced cancer: mapping needs and gaps.

Introduction: Patients with advanced cancer often experience symptoms including pain, nausea, anorexia, fatigue, and depression. High symptom burden can be alleviated by multidisciplinary palliative care (PC) teams practicing symptom-directed management. Patients who are unable to access such services may be at higher risk of increased symptoms and poor outcomes.

Deletion of Autism Risk Gene Shank3 Disrupts Prefrontal Connectivity.

Mutations in the synaptic scaffolding protein SHANK3 are a major cause of autism and are associated with prominent intellectual and language deficits. However, the neural mechanisms whereby SHANK3 deficiency affects higher-order socio-communicative functions remain unclear. Using high-resolution functional and structural MRI in adult male mice, here we show that loss of () results in disrupted local and long-range prefrontal and frontostriatal functional connectivity.

The cone-tetranitrocalix[4]arene tetraradical tetraanion as an electrochemically generated ligand for heavier alkali metal cations.

Four-electron electrochemical reduction of the cone-tetranitrocalix[4]arene in DMF results in the stable tetraradical tetraanion. The positive shift of the reduction potential of the title compound with an increasing concentration of alkali metal ions is caused by complex formation. The tetranitrocalix[4]arene thus represents an electrochemically generated ligand - a promising receptor/sensor - for alkali metal ions.

Water, Energy, and Carbon Footprints of Bioethanol from the U.S. and Brazil.

Driven by biofuel policies, which aim to reduce greenhouse gas (GHG) emissions and increase domestic energy supply, global production and consumption of bioethanol have doubled between 2007 and 2016, with rapid growth in corn-based bioethanol in the U.S. and sugar cane-based bioethanol in Brazil.

Autism-associated 16p11.2 microdeletion impairs prefrontal functional connectivity in mouse and human.

Human genetic studies are rapidly identifying variants that increase risk for neurodevelopmental disorders. However, it remains unclear how specific mutations impact brain function and contribute to neuropsychiatric risk. Chromosome 16p11.

Homozygous Loss of Autism-Risk Gene CNTNAP2 Results in Reduced Local and Long-Range Prefrontal Functional Connectivity.

Functional connectivity aberrancies, as measured with resting-state functional magnetic resonance imaging (rsfMRI), have been consistently observed in the brain of autism spectrum disorders (ASD) patients. However, the genetic and neurobiological underpinnings of these findings remain unclear. Homozygous mutations in contactin associated protein-like 2 (CNTNAP2), a neurexin-related cell-adhesion protein, are strongly linked to autism and epilepsy.

Can Mouse Imaging Studies Bring Order to Autism Connectivity Chaos?

Functional Magnetic Resonance Imaging (fMRI) has consistently highlighted impaired or aberrant functional connectivity across brain regions of autism spectrum disorder (ASD) patients. However, the manifestation and neural substrates of these alterations are highly heterogeneous and often conflicting. Moreover, their neurobiological underpinnings and etiopathological significance remain largely unknown.

A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1H-isoindol-1-one.

Orthophthalaldehyde (o-phthalaldehyde, OPA) is an aromatic dialdehyde bearing two electron-withdrawing carbonyl groups. The reactions of OPA with primary amines are broadly applied for the synthesis of important heterocyclic compounds with biological relevance. A number of such reactions have been investigated recently and several structures of condensation products have been reported, however, the complex reaction mechanism is still not fully understood and comprises concurrent as well as consecutive reactions.

Functional connectivity hubs of the mouse brain.

Recent advances in functional connectivity methods have made it possible to identify brain hubs - a set of highly connected regions serving as integrators of distributed neuronal activity. The integrative role of hub nodes makes these areas points of high vulnerability to dysfunction in brain disorders, and abnormal hub connectivity profiles have been described for several neuropsychiatric disorders. The identification of analogous functional connectivity hubs in preclinical species like the mouse may provide critical insight into the elusive biological underpinnings of these connectional alterations.