Analytical Mechanics of Chemical Reactions. VI. Rotational and Vibrational Distributions of the H + H_2 Reaction in a Plane

Rotational and vibrational distributions for the exchange reaction H+H_(2)→H_(2)+H are obtained numerically for reaction in a plane and compared with the vibrationally adiabatic solutions. Evidence is obtained regarding the two adiabatic solutions for the final rotational state predicted earlier and for the disappearance of one of these at higher initial relative velocity. Good agreement between calculations based on natural collision coordinates and these based on Cartesian coordinates was found, where tested. The vibrational motion for reaction in a plane is fairly adiabatic on the average at energies of thermal interest. Connections with other properties are noted. The results support the idea of statistical adiabaticity suggested earlier in this series and thus support a derivation of activated complex theory based on this concept

Analytical Mechanics of Chemical Reactions. V. Application to the Linear Reactive H +H_2 Systems

Natural collision coordinates and a zeroth‐order vibrational–adiabatic approximation are used to treat linear reactive collisions. Nonadiabatic effects on barrier transmission and on vibrational state of products are calculated. The present results are classical and are compared with exact classical numerical results for the H+H_2 reaction in the range 7–20 kcal/mol of initial relative translational energy. The agreement is encouraging and the results support the concepts introduced earlier of statistical adiabaticity and of nonadiabatic leak. At low energies the reaction is adiabatic on the average (initial vibrational phase average), thus justifying activated complex theory for this system. The relative importance of reaction path curvature and of vibrational frequency variation along the reaction path in inducing nonadiabatic effects is described. Implications for a quantum treatment, activated complex theory, and highly nonadiabatic systems are noted

Electrode and Electrolyte Materials for Batteries

Disclosed are open-framework solids that possess superior ion-transport properties pertinent to the electrochemical performance of next-generation electrode materials for battery devices. Disclosed compounds including compositions and architectures relevant to electrical energy storage device applications have been developed through integrated solid-state and soft (solution) chemistry studies. The solids can adopt a general formula of A.sub.xM.sub.y(XO.sub.4).sub.z, where A=mono- or divalent electropositive cations (e.g., Li.sup.+), M--trivalent transition metal cations (e.g., Fe.sup.3+, Mn.sup.3+), and X.dbd.Si, P, As, or V. Also disclosed are oxo analogs of these materials having the general formulae A.sub.aM.sub.bO.sub.c(PO.sub.4).sub.d (a.gtoreq.b), and more specifically, A.sub.nM.sub.nO.sub.3x(PO.sub.4).sub.n-2x, where A=mono- or divalent electropositive cations (e.g., Li.sup.+), M is either Fe or Mn, and x is between 0 and n/2

Burnishing tool actuators and their influence on the burnishing force components

The article presents the results of studies on measuring components of force of diamond burnishing of surfaces with variable radius of curvature. The impact of structural elements of burnishing tools of different types on components of burnishing force was analyzed. The impact of different actuators of burnishing tools on components of burnishing force was analyzed. The design of the burnishing tool with an air receiver (bellows with compressed air as an actuator) with a parallelogram-type mounting of the indenter on the four flat posts, which ensures burnishing of profiled and other types of surfaces with constant radial force, was proposed

Effective gene expression in the rat dorsal root ganglia with a non-viral vector delivered via spinal nerve injection

Delivering gene constructs into the dorsal root ganglia (DRG) is a powerful but challenging therapeutic strategy for sensory disorders affecting the DRG and their peripheral processes. The current delivery methods of direct intra-DRG injection and intrathecal injection have several disadvantages, including potential injury to DRG neurons and low transfection efficiency, respectively. This study aimed to develop a spinal nerve injection strategy to deliver polyethylenimine mixed with plasmid (PEI/DNA polyplexes) containing green fluorescent protein (GFP). Using this spinal nerve injection approach, PEI/DNA polyplexes were delivered to DRG neurons without nerve injury. Within one week of the delivery, GFP expression was detected in 82.8% ± 1.70% of DRG neurons, comparable to the levels obtained by intra-DRG injection (81.3% ± 5.1%, p = 0.82) but much higher than those obtained by intrathecal injection. The degree of GFP expression by neurofilament(+) and peripherin(+) DRG neurons was similar. The safety of this approach was documented by the absence of injury marker expression, including activation transcription factor 3 and ionized calcium binding adaptor molecule 1 for neurons and glia, respectively, as well as the absence of behavioral changes. These results demonstrated the efficacy and safety of delivering PEI/DNA polyplexes to DRG neurons via spinal nerve injection.National Science Council of Taiwan (100-2321-B-002-007)National Science Council of Taiwan (100-2320-B-002-083-MY3)Taiwan. Ministry of Science and Technology (104-2300-B-002-019-MY3)National Taiwan University. College of Medicine (Translational Medicine Project)National Taiwan University Hospital (101C101-201

MOSQUITO OVICIDAL PROPERTIES OF AGERATINA ADENOPHORA (FAMILY: ASTERACEAE) AGAINST FILARIASIS VECTOR, CULEX QUINQUEFASCIATUS (DIPTERA: CULICIDAE)

ABSTRACT Mosquito-borne diseases with an economic impact create loss in commercial and labor outputs, particularly in countries with tropical and subtropical climates. Mosquito control is facing a threat because of the emergence of resistance to synthetic insecticides. Extracts from plants may be alternative sources of mosquito control agents because they constitute a rich source of bioactive compounds that are biodegradable into nontoxic products and potentially suitable for use to control mosquitoes. Insecticides of botanical origin may serve as suitable alternative biocontrol techniques in the future. In view of the recently increased interest in developing plant origin insecticides as an alternative to chemical insecticide, this study was undertaken to assess the ovicidal potential of the crude hexane, benzene, chloroform, ethyl acetate, and methanol solvent extracts from the medicinal plant Ageratina adenophora (A. adenophora) against the filariasis vector, Culex quinquefasciatus (Cx. quinquefasciatus) (Diptera: Culicidae). Ovicidal activity was determined against Cx. quinquefasciatus mosquito to various concentrations ranging from 75-450 mg/L under the laboratory conditions. All the five solvents extracts showed moderate ovicidal activity; however, the methanol extract showed the highest ovicidal activity. One hundred percent mortality was observed at 375 mg/L. These results suggest that the plant extracts have the potential to be used as an ideal eco-friendly approach for the control of mosquitoes. This study provides first report on the mosquito ovicidal activity of A. adenophora plant extracts against filariasis vector, Cx. quinquefasciatus

Exploring hypotheses of the actions of TGF-beta 1 in epidermal wound healing using a 3D computational multiscale model of the human epidermis

In vivo and in vitro studies give a paradoxical picture of the actions of the key regulatory factor TGF-beta 1 in epidermal wound healing with it stimulating migration of keratinocytes but also inhibiting their proliferation. To try to reconcile these into an easily visualized 3D model of wound healing amenable for experimentation by cell biologists, a multiscale model of the formation of a 3D skin epithelium was established with TGF-beta 1 literature-derived rule sets and equations embedded within it. At the cellular level, an agent-based bottom-up model that focuses on individual interacting units ( keratinocytes) was used. This was based on literature-derived rules governing keratinocyte behavior and keratinocyte/ECM interactions. The selection of these rule sets is described in detail in this paper. The agent-based model was then linked with a subcellular model of TGF-beta 1 production and its action on keratinocytes simulated with a complex pathway simulator. This multiscale model can be run at a cellular level only or at a combined cellular/subcellular level. It was then initially challenged ( by wounding) to investigate the behavior of keratinocytes in wound healing at the cellular level. To investigate the possible actions of TGF-beta 1, several hypotheses were then explored by deliberately manipulating some of these rule sets at subcellular levels. This exercise readily eliminated some hypotheses and identified a sequence of spatial-temporal actions of TGF-beta 1 for normal successful wound healing in an easy-to-follow 3D model. We suggest this multiscale model offers a valuable, easy-to-visualize aid to our understanding of the actions of this key regulator in wound healing, and provides a model that can now be used to explore pathologies of wound healing

BOB-RED queue management for IEEE 802.15.4 wireless sensor networks

This study is aimed at exploring why many economists propose a transfer scheme and debt mutualisation for the Eurozone. This would equip the Eurozone with better tools to deal with an economic shock, like the 2010-2012 sovereign debt crisis, thus making it more financially stable. After the theoretical presentation, the study presents a unique institutional design with an EU Treasury that manages debt mutualisation and a transfer scheme as well as other competences that address other present economic challenges. Crucial to the study are the issues of moral hazard and adverse selection that arise when thinking of European economic integration.L’objectiu del treball és explorar la raó per la qual molts economistes proposen un sistema de transferències fiscals i la mutualització del deute a l’Eurozona. Així se la dotaria amb eines més efectives per pal·liar un xoc econòmic, com la crisi del deute sobirà del 2010-2012. A continuació, es presenta un disseny institucional únic d’un Tresor de l’Euro que gestionaria les competències esmentades (i d’altres) per combatre alguns dels reptes econòmics actuals. El risc moral i de selecció adversa, qüestions que sorgeixen en pensar la drecera que ha de prendre la integració econòmica Europea, són cabdals per aquest estudi

Hidden diversity of Pestalotiopsis and Neopestalotiopsis (Amphisphaeriales, Sporocadaceae) species allied with the stromata of entomopathogenic fungi in Taiwan

Pestalotiopsis sensu lato, commonly referred to as pestalotiopsis-like fungi, exhibit a broad distribution and are frequently found as endophytes, saprobes and pathogens across various plant hosts. The taxa within pestalotiopsis-like fungi are classified into three genera viz. Pestalotiopsis, Pseudopestalotiopsis and Neopestalotiopsis, based on the conidial colour of their median cells and multi-locus molecular phylogenies. In the course of a biodiversity investigation focusing on pestalotiopsis-like fungi, a total of 12 fungal strains were identified. These strains were found to be associated with stromata of Beauveria, Ophiocordyceps and Tolypocladium in various regions of Taiwan from 2018 to 2021. These strains were evaluated morphologically and multi-locus phylogenetic analyses of the ITS (internal transcribed spacer), tef1-α (translation elongation factor 1-α) and tub2 (beta-tubulin) gene regions were conducted for genotyping. The results revealed seven well-classified taxa and one tentative clade in Pestalotiopsis and Neopestalotiopsis. One novel species, Pestalotiopsis manyueyuanani and four new records, N. camelliae-oleiferae, N. haikouensis, P. chamaeropis and P. hispanica, were reported for the first time in Taiwan. In addition, P. formosana and an unclassified strain of Neopestalotiopsis were identified, based on similarities of phylogeny and morphology. However, the data obtained in the present study suggest that the currently recommended loci for species delimitation of pestalotiopsis-like fungi do not deliver reliable or adequate resolution of tree topologies. The in-vitro mycelial growth rates of selected strains from these taxa had an optimum temperature of 25 °C, but growth ceased at 5 °C and 35 °C, while all the strains grew faster under alkaline than acidic or neutral pH conditions. This study provides the first assessment of pestalotiopsis-like fungi, associated with entomopathogenic taxa

Guidance on noncorticosteroid systemic immunomodulatory therapy in noninfectious uveitis: fundamentals of care for uveitis (focus) initiative

Topic: An international, expert-led consensus initiative to develop systematic, evidence-based recommendations for the treatment of noninfectious uveitis in the era of biologics. Clinical Relevance: The availability of biologic agents for the treatment of human eye disease has altered practice patterns for the management of noninfectious uveitis. Current guidelines are insufficient to assure optimal use of noncorticosteroid systemic immunomodulatory agents. Methods: An international expert steering committee comprising 9 uveitis specialists (including both ophthalmologists and rheumatologists) identified clinical questions and, together with 6 bibliographic fellows trained in uveitis, conducted a Preferred Reporting Items for Systematic Reviews and Meta-Analyses protocol systematic reviewof the literature (English language studies from January 1996 through June 2016; Medline [OVID], the Central Cochrane library, EMBASE,CINAHL,SCOPUS,BIOSIS, andWeb of Science). Publications included randomized controlled trials, prospective and retrospective studies with sufficient follow-up, case series with 15 cases or more, peer-reviewed articles, and hand-searched conference abstracts from key conferences. The proposed statements were circulated among 130 international uveitis experts for review.Atotal of 44 globally representativegroupmembersmet in late 2016 to refine these guidelines using a modified Delphi technique and assigned Oxford levels of evidence. Results: In total, 10 questions were addressed resulting in 21 evidence-based guidance statements covering the following topics: when to start noncorticosteroid immunomodulatory therapy, including both biologic and nonbiologic agents; what data to collect before treatment; when to modify or withdraw treatment; how to select agents based on individual efficacy and safety profiles; and evidence in specific uveitic conditions. Shared decision-making, communication among providers and safety monitoring also were addressed as part of the recommendations. Pharmacoeconomic considerations were not addressed. Conclusions: Consensus guidelines were developed based on published literature, expert opinion, and practical experience to bridge the gap between clinical needs and medical evidence to support the treatment of patients with noninfectious uveitis with noncorticosteroid immunomodulatory agents