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In the current case study, we evaluated synchronous reinforcement (SSR) as an intervention to increase self-feeding for a 5-year-old male diagnosed with ASD and a pediatric feeding disorder who also had a history of trauma. Synchronous reinforcement is a schedule of covariation where reinforcement is delivered continuously contingent on responding. Synchronous reinforcement has not been previously reported in the literature in a feeding context. A benefit of reinforcement-based procedures, such as SSR, is that they may align with recommendations for trauma-informed care by preventing or limiting the necessity of physical guidance procedures for those with a history of physical trauma. This is of particular significance given children with disabilities are more likely to experience traumatic events and abuse. We demonstrated that SSR was an effective intervention for increasing self-feeding, as well as methods for fading SSR as a treatment component. We discuss the potential for SSR as a trauma-informed approach, and the importance of caregiver collaboration and programming for generalization. [ABSTRACT FROM AUTHOR]

Multigram synthesis of 3‐fluorinated cyclobutane building blocks has been disclosed. The proposed synthetic schemes were based on nucleophilic fluorination and eventually led to 3‐fluorocyclocutanecarboxylic acid as a key target compound and intermediate. Further functional group transformations provided monofluorinated cyclobutane‐derived alcohols, amines, bromides, thiols, sulfonyl chlorides, etc. Furthermore, the synthesis of diastereopure cis‐ and trans‐isomeric 2‐ and 3‐fluorocyclobutanecarboxylic acids and amines was also performed. In both cases, diastereomer separation was used to obtain pure stereoisomers. The effect of the fluorine position and relative spatial orientation on the physicochemical properties of the corresponding monoflurinated derivatives was studied by measurements of pKa and logP values. [ABSTRACT FROM AUTHOR]

Based on the parsley seed main component, apiol, efficient approach to polymethoxyquinone C3- and C4-acids was developed. The key step of this approach is Baeyer–Villiger rearrangement of carbonyl-substituted polyalkoxybenzenes derived from parsley seed extracts. These acids are the MeO-analogues of natural antioxidants – metabolites of ubiquinone and idebenone. Due to antioxidant properties, they are the potential therapeutic candidates for the treatment of mitochondrial dysfunction. [ABSTRACT FROM AUTHOR]

During navigation, the neocortex actively integrates learned spatial context with current sensory experience to guide behaviors. However, the relative encoding of spatial and sensorimotor information among cortical cells, and whether hippocampal feedback continues to modify these properties after learning, remains poorly understood. Thus, two-photon microscopy of male and female Thy1-GCaMP6s mice was used to longitudinally image neurons spanning superficial retrosplenial cortex and layers II-Va of primary and secondary motor cortices before and after bilateral dorsal hippocampal lesions. During behavior on a familiar cued treadmill, the locations of two obstacles were interchanged to decouple place-tuning from cue-tuning among position-correlated cells with fields at those locations. Subpopulations of place and cue cells each formed interareal gradients such that higher-level cortical regions exhibited higher fractions of place cells, whereas lower-level regions exhibited higher fractions of cue cells. Position-correlated cells in the motor cortex also formed translaminar gradients; more superficial cells were more likely to exhibit fields and were more sparsely and precisely tuned than deeper cells. After dorsal hippocampal lesions, a neural representation of the learned environment persisted, but retrosplenial cortex exhibited significantly increased cue-tuning, and, in motor cortices, both position-correlated cell recruitment and population activity at the unstable obstacle locations became more homogeneously elevated across laminae. Altogether, these results support that the hippocampus continues to modulate cortical responses in familiar environments, and the relative impact of descending feedback obeys hierarchical interareal and interlaminar gradients opposite to the flow of ascending sensory inputs. [ABSTRACT FROM AUTHOR]

Whereas κ3-P,C,P-based donor ligands are ubiquitous across synthetic chemistry, related unsymmetric systems having κ3-P,P,C-coordination are comparatively rare. In this contribution, we expose a new κ3-P,P,C ligand system, bearing a C3-anionic linker and its coordination chemistry with iridium. The title ligand has been coordinated in saturated and unsaturated forms. The degree of ligand saturation affected an onward (and unusual) oxidative rearrangement reaction. [ABSTRACT FROM AUTHOR]

Fluconazole (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol), which was patented in 1981 and introduced for commercial use in 1988, is a widely utilized antifungal drug whose mechanism of action involves inhibition of the activity of 14-α lanosterol demethylase. Its safety and effectiveness have established it as one of the most frequently employed antifungal agents. Resistance to azole antifungal drugs is becoming more common. It may be related to a mutation of the gene encoding the enzyme. To address this issue, molecules with modifications in three main regions of fluconazole, namely the hydroxyl group, the aromatic ring, and the 1,2,4-triazole rings, have been synthesized in an attempt to create more potent antifungal drugs. These modifications aim at enhancing the effectiveness against microorganisms and improving pharmacokinetic parameters and safety profiles of the synthesized compounds. The present review explores the synthesis of fluconazole derivatives, accompanied by insights into the results of biological studies evaluating the therapeutic effects of these compounds. [ABSTRACT FROM AUTHOR]

Background and purpose: Influenza vaccination is associated with a longer‐term protective effect against stroke; however, it has a short‐term inflammatory response which may increase short‐term risk of stroke. The aim was to investigate the association between influenza vaccination and short‐term risk of stroke in adults. Methods: Administrative data were obtained from the Alberta Health Care Insurance Plan for all adults in Alberta, Canada, from September 2009 to December 2018. The hazard of any stroke (acute ischaemic stroke, intracerebral haemorrhage, subarachnoid haemorrhage and transient ischaemic attack) within 3, 7, 14, 21 and 30 days of influenza vaccination compared to unexposed time was analysed using Andersen−Gill Cox models, with adjustment for age, sex, anticoagulant use, atrial fibrillation, chronic obstructive pulmonary disease, diabetes, hypertension, income quintile, and rural or urban home location. Results: In the entire cohort consisting of 4,141,209 adults (29,687,899 person‐years), 1,769,565 (42.7%) individuals received at least one vaccination. In total 38,126 stroke events were recorded with 1309 occurring within 30 days of a vaccination event. Influenza vaccination was associated with a significantly reduced hazard of stroke within 3 days (hazard ratio [HR] 0.83, 95% confidence interval [CI] 0.73–0.93), 7 days (HR 0.87, 95% CI 0.80–0.95), 14 days (HR 0.87, 95% CI 0.81–0.93), 21 days (HR 0.85, 95% CI 0.80–0.91) and 30 days (HR 0.66, 95% CI 0.65–0.68). Conclusions: An increased early risk associated with vaccination was not observed. The risk of stroke was reduced at all time points within 30 days after influenza vaccination. [ABSTRACT FROM AUTHOR]

This article presents a novel approach for synthesizing a new 5,8-dimethoxy derivative of esculetin via the selective cleavage of the methylene bridge in sabandin—naturally occurring and easily synthetically accessible methoxylated coumarin. A high selectivity is achieved by using acetoxylation of methylenedioxy group with lead tetraacetate. Natural coumarin sabandin as a starting compound was prepared in a few simple steps from 5-allyl-4,7-dimethoxybenzo[d][1,3]dioxole (apiol), which is readily available from parsley and dill seed extracts. The developed method enables an efficient and straightforward synthesis of a new derivative of esculetin with potential medicinal and therapeutic applications. [ABSTRACT FROM AUTHOR]

[Display omitted] A general synthetic access to methoxy analogues of coenzymes Q bearing functional substituents with various chain lengths at the quinone ring was developed using available natural (polymethoxy)(methylenedioxy)allylbenzenes. The Baeyer–Villiger rearrangement of (methylenedioxy)benzaldehydes into phenols followed by facile oxidation to quinones with the methylenedioxy moiety opening was identified as the key step in the synthesis of the target 1,4- and 1,2-polyalkoxyquinones [ABSTRACT FROM AUTHOR]

Synthesis and physicochemical characterization of all possible cis‐ and trans‐1,3‐disubstituted cyclobutane‐derived amines and carboxylic acids bearing mono‐, di‐ and trifluoromethyl groups at the C‐3 position is disclosed. Tetramethylammonium fluoride (TMAF)‐ or morpholinosulfur trifluoride (Morph‐DAST)‐mediated nucleophilic fluorination of appropriate cis‐ and trans‐diastereomeric substrates was used as the key step for the preparation of CH2F‐ and CHF2‐substituted derivatives. To obtain the corresponding cis‐ and trans‐isomeric CF3‐substituted derivatives, resolution of known 3‐(trifluoromethyl)cyclobutanecarboxylic acid (obtained as a mixture of diastereomers) was applied. The proposed procedures were suitable for the preparation of corresponding fluoroalkyl‐substituted cyclobutane‐derived amines and carboxylic acids on up to 50 g scale. All 12 building blocks obtained were characterized by measuring dissociation constants (pKa) and lipophilicities (LogP, for model derivatives) to evaluate the effect of the fluoroalkyl substituents on their physicochemical properties relevant to further drug discovery applications. [ABSTRACT FROM AUTHOR]

The selective forging of carbon‐boron bonds via C−H borylation stands as a central means to access fine chemical precursors. Notwithstanding, achieving selectivity in this reaction is difficult, calling for the design of molecular catalysts that offer a vector for mechanistic control. This report aims to achieve such through the strategic placement of Lewis acids in the ligand periphery, permitting engagement with a substrate through non‐covalent Lewis acid/base interactions. Various diphosphine iridium(I/III) complexes having 1,2‐bis(di‐n‐propylphosphino)ethane) (dnppe), tetrakisallylphosphinoethane (tape) and 1,2‐bis(di(3‐dicyclohexylboranyl)propylphosphino)ethane (P2BCy4) ligands were prepared. The P2BCy4 ligand scaffold boasts four Lewis acidic boron groups in its secondary coordination sphere, which are shown to engage with N‐heterocycles, tape is the precursor to P2BCy4, and dnppe is a saturated n‐propyl analogue devoid of boron functionality. Select combinations of such iridium salts/diphosphine ligands were assayed in the catalytic borylation of 2‐methylpyridine using B2Pin2 (Pin=pinacol). [ABSTRACT FROM AUTHOR]

Lauric acid was used to synthesize the low-molecular-weight organogelators (LMOGs), derivatives of two endogenous (L)-alanine, (L)-leucine, and three exogenous (L)-valine, (L)-phenylalanine, and (L)-proline amino acids. The nature of processes responsible for the gel formation both in polar and in apolar solvents of such compounds is still under investigation. Knowing that the organization of surfactant molecules affects the properties of nano scale materials and gels, we decided to elucidate this problem using crystallographic diffraction and energy frameworks analysis. The single crystals of the mentioned compounds were produced successfully from heptane/tBuOMe mixture. The compounds form lamellar self-assemblies in crystals. The energetic landscapes of single crystals of a series of studied amphiphilic gelators have been analyzed to explore the gelling properties. The presented results may be used as model systems to understand which supramolecular interactions observed in the solid state and what energy contributions are desired in the designing of new low-molecular-weight organic gelators. [ABSTRACT FROM AUTHOR]

The results of an investigation of the structure and adsorption properties of a Mo/zeolite composite obtained by enrichment of zeolite from the Chuguevskoe deposit in Primorskii Krai with Mo nanoparticles followed by sintering are presented. Its phase and elemental compositions were determined. The adsorption-structural characteristics of the composite were investigated by means of the BET method. The specific surface area, total pore volume, and mesopore size distribution were determined. The results obtained are of interest for the production of catalytically active materials based on zeolite raw materials. [ABSTRACT FROM AUTHOR]

The series of C2-symmetric biaryl core-based non-racemic bisphosphines possessing substituents of different electronic properties: both EDG and EWG were obtained in a short sequence of good yielding transformations, started from commercial 1,3-dimethyl-2-nitrobenzene. Several different approaches leading to the desirable ligands were practically evaluated. Notably, the synthesis of the entire series of ligands could be performed with the utilization of a single early-stage precursor DIDAB (6,6′-diiodo-2,2′,4,4′-tetramethylbiphenyl-3,3′-diamine), which could be easily obtained in enantiomerically pure form. The obtained compounds at concentrations of 50 and 200 µM showed various biological activity against normal human dermal fibroblast, ranging from inactivity through time-dependent action and ending up with high toxicity. [ABSTRACT FROM AUTHOR]

This qualitative study explored how migrant-serving agencies and healthcare providers in Alberta can support migrants to maintain healthy eating patterns. Through semi-structured interviews, respondents provided insight on their experiences working with migrant populations in the community. Observations about dietary acculturation (including food access, unfamiliar food environments, and perceptions of common foods in Canada) point to nutrition information that may be relevant for migrants. Respondents provided recommendations, noting the importance of culturally appropriate services, visual education materials, and collaboration between healthcare providers and community workers. The collective knowledge presented here could be applied by those developing programming supports for migrant communities. [ABSTRACT FROM AUTHOR]

Objectives: Russian military aggression caused the biggest crisis in Ukraine since WWII. Telemedicine could become a solution for Ukrainian healthcare to cope with these challenges, considering previous experience and available resources. We aimed to assess features of telemedicine in Ukrainian during the war. Materials and Methods: We used a cross-sectional approach to receive feedback from 125 Ukrainian medical practitioners performing clinical practice in Ukraine during the war. E-questionnaire was distributed among doctors via social media announcements, specific doctors' associations in messengers and direct messages. Results: We found that 99.20% of doctors (n=124) continued using telemedicine during the war. 56.80% of the respondents (n=71) highlighted that the war resulted in the acceleration of telemedicine usage. The most popular telehealth services were instant messaging apps (97.60% of doctors, n=122) and phone calls (84.80% of doctors (n=106). Compared to less experienced colleagues, medical practitioners with more than 10 years of clinical practice more intensively used e-mail (46.15% vs 19.18%; χ²=10.444, p=0.001), SMS (34.62% vs 15.07%; χ2=6.512, p=0.011), remote pulse oximetry (19.23% vs 5.48%; χ2=5.774, p=0.016), blood glucose monitoring (11.54% vs 2.74%; χ2=3.925, p=0.048). The main restriction of using telemedicine was an inability to perform an effective objective examination. Conclusion: Our research showed that the ongoing Russian-Ukrainian war had accelerated the use of telemedicine by Ukrainian medical practitioners. The most common telemedical services were messengers and direct phone calls. Experienced doctors more frequently used e-mail, SMS and devices for remote patient monitoring. [ABSTRACT FROM AUTHOR]

Transmetalation is a key method for the construction of element–element bonds. Here, we disclose the reactivity of [NiII(Ar)(I)(diphosphine)] compounds with arylgold(I) transmetalating agents, which is directly relevant to cross-coupling catalysis. Both aryl-for-iodide and unexpected aryl-for-aryl transmetalation are witnessed. Despite the strong driving force expected for Au–I bond formation, aryl scrambling can occur during transmetalation and may complicate the outcomes of attempted catalytic cross-coupling reactions. [ABSTRACT FROM AUTHOR]

A catalyst was developed in the form of a composite based on a zeolite matrix modified with titanium nanoparticles based on zeolite raw materials from the Kulikovskoe deposit in the Amur Region. Ion-plasma sputtering of a titanium target in a vacuum was used to obtain a composite. The features of the structure and composition of the obtained material were established. It is shown that the zeolite matrix can be enriched with Ti nanoparticles. [ABSTRACT FROM AUTHOR]

Supramolecular adhesives are attracting considerable attentions owing to their dynamic and reversible bonding, while the complex curing conditions and poor performance under extreme conditions severely restrict their applicability. Herein, a series of tetra‐crown ether‐terminated polyethylene glycol (TCE‐PEG) adhesives are presented in which plenty of supramolecular interactions, including Van der Waals, hydrogen bonding, π–π staking, metal coordination, and electrostatic ones, provide strong adhesion on multiple types of substrates. Highly relevant for practical applications, ultra‐strong adhesivity of TCE‐PEG can be achieved without requiring additional ultraviolet radiation, heat, or chemical treatment at ambient temperature. It also exhibits durable adhesive behavior, excellent underwater stability, and low‐temperature tolerance. Especially, by incorporating ionic polymer fragments of polyethyleneimine hydrochloride, additional hydrogen bonding between secondary amines and crown ether rings can be induced to enhance the lap‐shear strength to 7.21 MPa due to the formation of supramolecular cross‐linked network. This work pioneers a rather unique supramolecular approach for easily formed, ultra‐strong crown‐ether‐based adhesives bearing great potential for applications in critical environments of limited heat source and unallowed solvent usage. [ABSTRACT FROM AUTHOR]

Synthesis of previously unavailable 1,2‐disubstituted cyclobutane building blocks bearing mono‐, di‐ and trifluoromethyl groups are disclosed. The key steps included deoxofluorination or TMAF‐mediated nucleophilic substitution in the appropriate bifunctional cyclobutanes; for the CF3‐substituted derivatives, alternative methods based on cyano‐ or azidotrifluoromethylation of cyclobutene using the Togni reagent II were also proposed. All methods provided trans diastereomers of the target primary amines and carboxylic acids (6 representatives) and were suitable for their multigram preparation. Furthermore, dissociation constants (pKa) and lipophilicity (logP) values were measured to evaluate the effect of the fluoroalkyl substituents on acidity/basicity and lipophilicity of the building blocks obtained. [ABSTRACT FROM AUTHOR]

The chemical modification method of road oil bitumen by formaldehyde (formalin) was proposed to use for improving their physical and mechanical properties. Chemical modification is based on the copolycondensation reactions of bitumen components aromatic fragments and formaldehyde, with the formation of so-called aromatic hydrocarbon formaldehyde resins -- formalites. The group hydrocarbon composition and FTIR spectra, the initially distilled oil bitumen of BD 60/90 brand, and formaldehyde modified bitumen were compared. The complex thermogravimetry and differential-thermal analysis were carried out to analyze the initial and modified bitumen. There is shown a considerably increase in the heat capacity (softening point) and adhesion properties (adhesion to glass) in the chemical modification process of distilled bitumen by formaldehyde. There was proved that samples of formaldehyde modified bitumen correspond to polymers modified bitumen (ЕN 14023) by operating parameters. This will make it possible to use the resulting products as high-quality raw materials for the production of asphalt concrete mixtures and, in the future, reliable and high-quality highways. [ABSTRACT FROM AUTHOR]

Summary: Background: In self‐regulated procedural simulation, learners practise on many simulators (e.g. paracentesis), self‐regulating their choice of simulators, time and goals. Current needs assessments cannot predict the number of simulators needed to plan cost‐effective self‐regulated simulation. Knowing the ratios of simulators and participants would allow for better‐informed purchase decisions to be made. Methods: We designed 90‐minute sessions of self‐regulated procedural simulation for internal medicine residents. In Phase 1, 51 participants (8.5 per group) could use 22 simulators (US$69 925): ultrasound‐guided central (n = 6) and peripheral (n = 2) venous catheterisation; thoracocentesis (n = 2); paracentesis (n = 2); lumbar puncture (n = 6); and arthrocentesis (n = 4). We calculated minimal numbers of simulators based on the time that participants used each simulator in order to design a resource‐effective Phase 2, with 24 participants (with 12 per group) using 14 simulators (US$48 720) to meet their needs. Results: Calculated from time of use (83 minutes in total), the optimal ratios of simulators expressed for 10 participants were 9.2: 3.7 for jugular and subclavian venous catheterisation (33 minutes); 1.5 for thoracocentesis (13 minutes), 1.0 for femoral venous catheterisation (9 minutes), 1.0 for lumbar puncture (9 minutes), 0.8 for peripheral venous catheterisation (8 minutes), 0.7 for paracentesis (6 minutes) and 0.5 for arthrocentesis (5 minutes). In Phase 2, the usage rate of simulators increased from 35.5% to 76.6%, maintaining the total time of use at 80.4 minutes. Conclusions: We present a replicable method for the cost‐effective planning of self‐regulated simulation by measuring the use of simulators. Expressed as ratios of simulators per participant, this information can support purchase decisions and be shared with similar programmes. [ABSTRACT FROM AUTHOR]

Previous work has shown that the dorsal hippocampus has greater activity than ventral regions during place navigation. Exposure to a novel context has also been found to increase hippocampal activation, possibly due to increased spatial demands. However, activation patterns in dorsal and ventral regions have not been investigated in the Morris water task (MWT), which remains the most popular assay of place memory in rodents. We measured activity in a large population of neurons across the CA1 dorsal–ventral axis by estimating nuclear Arc mRNA with stereologic systematic‐random sampling procedures following changes to goal location or spatial context in the MWT in rats. Following changes to goal location or spatial context in the MWT, we did not find an effect on Arc mRNA expression in CA1. However, Arc expression was greater in the dorsal compared to the ventral aspect of CA1 during task performance. Several views might account for these observed differences in dorsal–ventral Arc mRNA expression, including task parameters or the granularity of representation that differs along the dorsal–ventral hippocampal axis. Future work should determine the effects of task differences and required memory precision in relation to dorsal–ventral hippocampal neuronal activity. [ABSTRACT FROM AUTHOR]

An approach to all isomeric 3‐pyridylcyclobutane‐derived building blocks, i.e. ketones, alcohols and amines, is described. Synthesis of the title compounds relied on the five‐step reaction sequence including alkylation of isomeric pyridyl acetonitriles with 1,3‐dibromo‐2,2‐dimethoxypropane. Hydrolysis, decarboxylation and removal of the ketal moiety led to the key 3‐pyridylcyclobutanones (obtained on up to 120 g scale in a single run), which were transformed into the corresponding alcohols and amines with high diastereoselectivity. The title cyclobutanone derivatives were used to synthesize three isomeric nicotine analogues, as well as for parallel synthesis of a small lead‐like compound library via reductive amination. [ABSTRACT FROM AUTHOR]

The results of computer modeling of plant kinesin‐8/αβ‐tubulin complexes with such αβ‐tubulins' modified amino acid residues as phosphorylated Tyr262 and Tyr107 are reported in this paper. The molecular dynamics of these modified complexes in comparison with the dynamics of non‐modified ones suggests that the phosphorylation of both α‐ and β‐tubulins reveals stabilizing effect on the protein structure around the modified residue. It was found also that the phosphorylation of Tyr107 in β‐tubulin molecule favors to more advantageous kinesin‐8 binding with the phosphorylated microtubule surface in terms of energy. [ABSTRACT FROM AUTHOR]

The results of studies of the physical properties of zeolite raw material from the Vanginskoe deposit in Amur Oblast are presented. The structural and adsorption properties of material modified by HCl were studied. It is shown that the use of a 0.5M solution increases adsorption. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Plant oil-based vinyl monomers form 1:1 inclusion complexes with cyclodextrin. • Latex polymers with higher molecular weight are formed in the presence of complex. • The complex protects the fatty acid monomer moieties and diminishes chain transfer. • In the presence of complex, emulsion polymer yield increases, coagulum amount drops. • The observed effect is more pronounced for more unsaturated plant oil-based monomer. Abstract Although series of latexes from plant oil-based acrylic monomers (POBMs) were recently synthesized in emulsion, two factors—allylic termination (the chain transfer reaction to the fatty acid double bonds) and the poor aqueous solubility of POBMs—lead to the lower total monomer conversion and molecular weight of the resulting latex polymers. In this study, amphiphilic oligosaccharide, methyl-β-cyclodextrin (M-β-CD), was used to improve the polymerizability of monomers from high oleic soybean (HO-SBM) and linseed (LSM) oil in copolymerization with styrene. Using X-ray diffractometry and differential scanning calorimetry, interactions between the monomers and M-β-CD were confirmed, while the formation of 1:1 complex from oligosaccharide and each monomer molecules was demonstrated by mass spectrometry. In the presence of "host-guest" complexes, polymer yield increases as the coagulum amount drops during the emulsion polymerization of both plant oil-based monomers with styrene indicating their enhanced aqueous solubility. Remarkably, latex polymers with a consistently higher molecular weight were obtained in the presence of M-β-CD. The complex formation and incorporation of monomer molecules into the oligosaccharide cavities protect the fatty acid moieties and diminishes chain transfer. The latter assumption was quantitatively confirmed in 1H NMR spectroscopy by determining the number of protons of the alkyl carbon−carbon double bonds (–C H = C H –) and the bisallylic hydrogen atoms (–CH = CH–C H 2 –CH = CH–) in the unsaturated fatty acid moieties of the latex copolymers. The observed effect is more pronounced for more unsaturated monomer from linseed oil. Based on the obtained results, M-β-CD plays a dual role in both enhancing POBM polymerizability as well as protecting against allylic termination chain transfer. [ABSTRACT FROM AUTHOR]

Resins obtained from the phenolic fraction of coal tar have been synthesized by the method of formaldehyde condensation polymerization. The phenol-cresol-formaldehyde resins have been derived from the following types of starting materials: a wide phenolic fraction, narrow fractions sampled before and after 185 °C (fraction: IBP - 185 and 185 - EBP °C) coupled with the so called raw (technical) phenols that had been separated from these fractions. The capability of utilizing resins obtained as a modifier of distilled (residual) and oxidized petroleum road bitumens has been determined. It has been shown that adding these resins increases the softening point and essentially boosts the adhesion of petroleum-based bitumens for roads. [ABSTRACT FROM AUTHOR]

High energy density demand is pushing the development of high-voltage cathode materials, which necessitates improved electrochemical stability of other battery components such as binders, electrolytes, and current collectors. Current collectors are considered to be an inactive component but still play an essential role. In this study, a metal-free composite film containing directionally aligned carbon fiber (CF), carbon nanotube (CNT), and polymer (P) was developed to replace aluminum foil as a cathode current collector, which relies on forming an Al 2 O 3 layer to ensure electrochemical stability at high voltage. Each component in the new cathode current collector played a functional role. The CNTs provided uniform current densities, and CFs improved the electronic conductivity and mechanical strength of the composite material. The polymer enhanced the adhesion of the cathode coating with the current collector and provided an impervious support to the cathode materials. The CF-CNT-P composite demonstrated excellent electrochemical and thermal stability. Cathodes coated on the CF-CNT-P composite exhibited lower charge transfer resistance, improved rate capability, and improved cyclic stability compared with the cathodes deposited on conventional aluminum foil. Additionally, the composite current collector was lighter (1.81 mg/cm2 and 15 µm thick) than the commonly used aluminum foil (4.35 mg/cm2 and 15 µm thick), which can increase the cell energy density. Additionally, the CF-CNT-P did not need to be separated from the cathode coating during recycling and can be burnt out with binder, simplifying the recycling process. [ABSTRACT FROM AUTHOR]

Acute spontaneous intracerebral haemorrhage is a life-threatening illness of global importance, with a poor prognosis and few proven treatments. As a heterogeneous disease, certain clinical and imaging features help identify the cause, prognosis, and how to manage the disease. Survival and recovery from intracerebral haemorrhage are related to the site, mass effect, and intracranial pressure from the underlying haematoma, and by subsequent cerebral oedema from perihaematomal neurotoxicity or inflammation and complications from prolonged neurological dysfunction. A moderate level of evidence supports there being beneficial effects of active management goals with avoidance of early palliative care orders, well-coordinated specialist stroke unit care, targeted neurointensive and surgical interventions, early control of elevated blood pressure, and rapid reversal of abnormal coagulation. [ABSTRACT FROM AUTHOR]

Objective: Dimethyl sulfide (DMS, CAS 75-18-3) is an industrial chemical. It is both an irritant and neurotoxicant that may be life-threatening because of accidental release. The effects of DMS on public health and associated public health response depend on the exposure concentration and duration. However, currently, public health advisory information exists for only a 1 h exposure duration, developed by the American Industrial Hygiene Association (AIHA). In the present work, the AIHA-reviewed data were computationally extrapolated to other common short-term durations. Methods: The extrapolation was carried out using the toxic load equation, Cn × t = TL, where C and t are exposure concentration and duration, TL is toxic load, and n is a chemical-specific toxic load exponent derived in the present work using probit meta-analysis. The developed threshold levels were vetted against the AIHA database of clinical and animal health effects induced by DMS. Results: Tier-1 levels were derived based on human exposures that resulted in an easily detectable odor, because DMS is known to have a disagreeable odor that may cause nausea. Tier-2 levels were derived from the lower 95% confidence bounds on a benchmark concentration that caused 10% incidence (BMCL10) of coma in rats during a 15 min inhalation exposure to DMS. Tier-3 levels were based on a BMCL05 for mortality in rats. Conclusion: Emergency responders and health assessors may consider these computationally derived threshold levels as a supplement to traditional chemical risk assessment procedures in instances where AIHA developed public health advisory levels do not exist. [ABSTRACT FROM AUTHOR]

Objective: Dimethyl sulfide (DMS, CAS 75-18-3) is an industrial chemical. It is both an irritant and neurotoxicant that may be life-threatening because of accidental release. The effects of DMS on public health and associated public health response depend on the exposure concentration and duration. However, currently, public health advisory information exists for only a 1 h exposure duration, developed by the American Industrial Hygiene Association (AIHA). In the present work, the AIHA-reviewed data were computationally extrapolated to other common short-term durations. Methods: The extrapolation was carried out using the toxic load equation, Cn × t = TL, where C and t are exposure concentration and duration, TL is toxic load, and n is a chemical-specific toxic load exponent derived in the present work using probit meta-analysis. The developed threshold levels were vetted against the AIHA database of clinical and animal health effects induced by DMS. Results: Tier-1 levels were derived based on human exposures that resulted in an easily detectable odor, because DMS is known to have a disagreeable odor that may cause nausea. Tier-2 levels were derived from the lower 95% confidence bounds on a benchmark concentration that caused 10% incidence (BMCL10) of coma in rats during a 15 min inhalation exposure to DMS. Tier-3 levels were based on a BMCL05 for mortality in rats. Conclusion: Emergency responders and health assessors may consider these computationally derived threshold levels as a supplement to traditional chemical risk assessment procedures in instances where AIHA developed public health advisory levels do not exist. [ABSTRACT FROM AUTHOR]

Acute stroke therapy has significantly evolved over the last two decades. The two main advances have been the approval of intravenous chemical thrombolysis in 1995, and the approval of intra-arterial mechanical thrombectomy in 2015. This has led to significant improvement of functional outcomes in a disease known to be the first cause of disability worldwide. Subsequent studies have focused on identifying pre-treatment predictors of good treatment candidates, by developing biochemical and imaging biomarkers. Different doses and agents of thrombolysis are also being tested. In this review article, we explain the fundamentals of stroke therapy focusing on the time, recanalization and collateral perfusion factors. We then review recent advances in stroke thrombolysis, the most significant of which is the recent trials on a novel rtPA agent, tenecteplase, and approval of endovascular treatment as a standard of care. Looking ahead, defining the benefits and limitations of bridging chemical with mechanical thrombolysis is a key area of current interest. This article is part of the Special Issue entitled ‘Cerebral Ischemia’. [ABSTRACT FROM AUTHOR]

Simple, efficient, clean, and stereospecific protocols of protection of phosphorus atom with borane and deprotection from the borane complexes of the tertiary phosphines in mild conditions are reported. The proposed protection/deprotection reactions tolerate a range of functional groups and lead to pure products with excellent yield with no need for application of chromatographic or crystallisation purification procedures. For the first time mechanisms of the reactions of phosphine protection and deprotection have been studied based on experimental kinetic data as well as quantumchemical calculations, which allows designing reaction conditions suitable for a given substrate. [ABSTRACT FROM AUTHOR]

Despite the building being located deep in the city, the night stars were clearly visible even in the unedited version of the picture due to the special circumstances of that period. Keywords: amines carboxylic acids; cyclobutane; building blocks; fluorine EN amines carboxylic acids cyclobutane building blocks fluorine 1 1 1 06/23/23 20230621 NES 230621 B The Front Cover b shows the main building of the Vernadsky National Library of Ukraine located in Ky v, as well as two constellations depicting novel I cis i - and I trans i -1,3-disubstituted cyclobutane building blocks bearing CF SB 3 sb , CHF SB 2 sb , or CH SB 2 sb F groups. Amines carboxylic acids, cyclobutane, building blocks, fluorine. [Extracted from the article]

The DFT calculations of the simplified model of the asymmetric Suzuki–Miyaura coupling reaction were performed at the M062x/LANL2DZ theory level at first. It was found that enantioselective reactions mediated by the palladium complexes of chiral C,P-ligands follow a four-stage mechanism similar to that proposed previously as one of the most credible mechanisms. It should be underlined that the presence of substituents in the substrates and the chiral ligand at ortho positions determines the energies of possible diastereoisomeric transition states and intermediates in initial reaction steps. This suggests that, in practice, a sharp selection of theoretically possible paths of chirality transfer from the catalyst to the product should have a place and, therefore, the absolute configuration of the formed atropisomeric product is defined and can be predicted. [ABSTRACT FROM AUTHOR]

A variety of tertiary phosphine sulfides have been reduced by Raney-Ni to give the corresponding phosphines with high efficiency and under mild conditions. Alkyl, aryl, acyclic, cyclic, as well as sterically crowded phosphine sulfides are reduced with equal facility. Optically active P-stereogenic phosphine sulfides are reduced stereospecifically with clean retention of configuration at P. Reductions of unsaturated phosphine sulfides is not fully chemoselective and takes place with concomitant partial reduction of the double bond. Clean reduction of the unsaturated phosphine sulfides to the corresponding fully saturated phosphines can be achieved in one step by running the reduction under H2atmosphere (balloon). [ABSTRACT FROM AUTHOR]

Keywords: Boron; Iridium; Ligand design; Phosphorus; Secondary coordination sphere EN Boron Iridium Ligand design Phosphorus Secondary coordination sphere 1 1 1 03/15/23 20230309 NES 230309 B The Front Cover b displays an iridium-based bridge, which has been used for the borylation of an N-heterocycle, 2-methylpyridine. Front Cover: Iridium Diphosphine Complexes Featuring Pendant Lewis Acids: Efforts toward Selective Heteroarene Borylation (Eur. J. Inorg. Boron, Iridium, Ligand design, Phosphorus, Secondary coordination sphere. [Extracted from the article]

• Dynamics of liquid Si is studied by ab initio molecular dynamics in a pressure range above the melting line minimum; • A signal in transverse spectral functions from additional type of collective modes was observed; • The frequencies of the additional transverse modes coincide with the peak positions of spectra of velocity autocorrelations; • No sharp changes in single-particle and collective dynamics in the region of melting line minimum. We report an ab initio simulation study of changes in structural and dynamic properties of liquid Si at 7 pressures ranging from 10.2 to 24.3 GPa along the isothermal line 1150 K, which is above the minimum of the melting line. The increase of pressure from 10.2 to 16 GPa causes strong reduction in the tetrahedral ordering of the closest neighbors. The diffusion coefficient shows a linear decay vs drop in atomic volume, that agrees with theoretical prediction for simple liquid metals, thus not showing any feature at the pressures corresponding to the different crystal phase boundaries. The Fourier-spectrum of the velocity autocorrelation function shows two-peak structure at pressures 20 of GPa and higher. These characteristic frequencies correspond well to the peak frequencies of the transverse current spectral function in the second pseudo-Brillouin zone. Two almost flat branches of short-wavelength transverse modes were observed at all the studied pressures. We discuss the pressure evolution of characteristic frequencies in the longitudinal and transverse branches of collective modes. [ABSTRACT FROM AUTHOR]

Naphthalene-1,4-dione derivatives were synthesized and tested against selected bacterial strains. All the tested compounds were prepared by direct introduction of corresponding substituents into the naphthoquinone core in oxidative conditions. In this study, eight strains of bacteria ( Proteus , Escherichia , Klebsiella , Staphylococcus , Enterobacter , Pseudomonas , Salmonella , Enterococcus ) were used for determination of antimicrobial activity of synthesized compounds with the Minimal Inhibitory Concentration (MIC) method. Additionally, selected compounds were tested for haemolytic activity using human erythrocytes. All naphthalene-1,4-dione derivatives exhibited significant antimicrobial activity with MIC values between 7.8 and 500 μg/ml. A majority of the synthesized compounds showed the strongest antibacterial properties towards S. aureus , with a high level of selectivity. None of the tested naphthalene-1,4-dione derivatives exhibited haemolytic activity. [ABSTRACT FROM AUTHOR]

The article offers information on the evolution of endovascular thrombectomy (EVT) as a therapy for acute ischemic stroke due to large-vessel occlusions. Topics include the significance of timely reperfusion to salvage ischemic penumbra, patient selection based on neuroimaging, and recent trials challenging previous core volume limitations for EVT eligibility.

A straightforward synthesis of a sterically hindered and electron rich bidentate monophosphine biaryl ligand Sym -Phos of C,P-type of complexation was realised in a high yield starting from simple substrates in easily affordable conditions. In combination with a palladium source, the obtained ligand formed a highly active catalyst mediating sterically demanding Suzuki–Miyaura coupling reactions in aqueous media even at 60 °C and with no need to protect the reaction mixture by an inert gas. [ABSTRACT FROM AUTHOR]

Results of the single crystal X-ray diffraction analysis of tris(acetonitrile)chloropalladium tetrafluoroborate [PdCl(CH 3 CN) 3 ]BF 4 are presented in details. It was found that the title compound crystallises in the monoclinic system, in the space group C 2/ c . The role of charge-assisted C–H⋅⋅⋅F–B interactions in crystal architecture was investigated. Due to its untypical properties the prepared [PdCl(CH 3 CN) 3 ]BF 4 has proved to be an excellent palladium source in the synthesis of phosphine-palladium complexes. [ABSTRACT FROM AUTHOR]

The first synthesis of rigid pentacyclic NORPHOS derivatives by a tandem cross-coupling/cross-dehydrogenative-coupling according to the Catellani reaction protocol is reported. Mediated by palladium complexes of C,P-chelating monophosphine ligands, the readily available enantiopure NORPHOS oxide underwent a stereo- and regio-selective cyclocondensation reaction with arylhalides involving the activation of two unreactive C–H bonds. [ABSTRACT FROM AUTHOR]

We evaluated the safety and effectiveness of adjunctive tacrolimus therapy with conventional immunosuppression in patients with severe connective tissue disease-related interstitial lung disease (CTD-ILD). We included patients from our interstitial lung disease (ILD) registry with CTD-ILD, in whom tacrolimus was added to corticosteroids and an additional immunosuppressive agent. Demographic data, clinical features, lung function, radiographic images, and pathologic findings were reviewed. Effectiveness was assessed by comparing pulmonary function tests (PFTs) closest to tacrolimus initiation to PFTs approximately 6–12 months later. Corticosteroid dose at these time points was also evaluated. We report adverse events attributed to tacrolimus. Seventeen patients with CTD-ILD were included in adverse event analysis; twelve were included in efficacy analysis. Length of tacrolimus therapy ranged from 6 to 110 months (mean 38.8 months ± 31.4). The mean improvement in percent predicted total lung capacity was 7.5% ± 11.7 (p = 0.02). Forced vital capacity mean improvement was 7.4% ± 12.5 (p = 0.06). The average decrease in corticosteroid dose at follow-up was 20.3 mg ± 25.2 (p = 0.02) with complete discontinuation in six patients. No patients experienced a life-threatening adverse event attributed to tacrolimus. Tacrolimus can be effective and is well tolerated as an adjunctive therapy and allows tapering of corticosteroids. [ABSTRACT FROM AUTHOR]

Atroposelective synthesis of axially chiral biaryls mediated by palladium complexes of chiral phosphorus ligands is discussed. Analysis of the literature data allowed us to compare the activity and selectivity of used phosphorus ligands and, in some cases, connected them with the ligand structure. We also propose some practical remarks concerning a comparison of efficiency of structurally different ligands. [ABSTRACT FROM PUBLISHER]

The application of important organophosphorus ligand-based complex catalysts in potentially environmentally benign processes was overviewed. In particular, the focus was put on the phosphoorganic systems of special properties (water-soluble, immobilized in/on fluorous phase as well as solid phase supported transition metal phosphine complexes) used in different types of modern catalytic reactions. [ABSTRACT FROM PUBLISHER]