scholarly journals Precursor state of chemi-ionization reactions and confinement of valence electrons by anisotropic intermolecular forces

2021 ◽  
Vol 75 (3) ◽  
Author(s):  
Stefano Falcinelli ◽  
Franco Vecchiocattivi ◽  
Simonetta Cavalli ◽  
Fernando Pirani
Keyword(s):  
Noble Gas ◽  
Intermolecular Forces ◽  
Basic Step ◽  
Precursor State ◽  
Quantum Confinement Effects ◽  
General Relevance ◽  
Valence Electrons ◽  
Great Relevance ◽  
Experimental Findings

Abstract Modifications in atomic alignment and in molecular alignment/orientation determine a different structure of the adduct, formed by collisions of reagents, which represents the precursor state of many elementary chemical–physical processes. The following evolution of the system is directly controlled by the confinement of interacting partners in such a precursor state. However, a deep characterization of these phenomena is still today not fully available, especially when weak intermolecular forces are operative, although the inquiry is of general relevance for the control of the stereodynamics of processes, occurring under a variety of conditions both in gas phase and at surface. In this paper recent advances in the knowledge of the selective role of atomic alignment and molecular orientation effects on the stereodynamics of chemi-ionization reactions will be presented and discussed. These advances represent a basic step along a path whose final target is the complete and internally consistent rationalization and revaluation of the experimental findings already obtained, and published, in our and in other laboratories on chemi-ionization reactions involving as reagent molecules which are of great relevance in several fields. The basic idea is to export important guidelines provided by a recent detailed study of chemi-ionization of noble gas atoms to more complex reactions involving molecules. The main focus of the present paper is on the quantum confinement effects of valence electrons within the reaction transition state. Graphic abstract

scholarly journals Selectivity of weak intermolecular forces and precursor state of elementary oxidation reactions, a new insight on Ne* + N2 chemiionization

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Stefano Falcinelli ◽  
Franco Vecchiocattivi ◽  
Fernando Pirani
Keyword(s):  
Open Shell ◽  
Intermolecular Forces ◽  
Collision Dynamics ◽  
Oxidation Reactions ◽  
Molecular Beam Scattering ◽  
Fundamental Interest ◽  
Precursor State ◽  
New Formulation ◽  
Weak Intermolecular Forces

AbstractThis paper reports on the collision dynamics of N2 with metastable Ne* promoting chemiionizations, prototype of barrier-less oxidation reactions of great interest for fundamental and applied research. Extending guidelines presented in previous papers for the atom–atom case, an innovative treatment of the reaction stereodynamics involving molecules in a quantum state-to-state resolution conditions is proposed that emphasizes the role of structure and stability of the precursor that is here the reaction transition state. A critical test of such treatment, carried out exploiting a new formulation both of real and imaginary parts of the optical potential driving the reaction dynamics, is represented by the detailed-combined description of all relevant findings, provided by high resolution molecular beam scattering experiments carried out in our and other laboratories. The present analysis casts light on basic electronic rearrangements of such prototype oxidation reaction which are expected to be of fundamental interest for many other reactions involving open shell atoms and free radicals.

scholarly journals Characterization of swelling behavior of carbon nano-filler modified polydimethylsiloxane composites

2021 ◽  
pp. 009524432110061
Author(s):  
Bo Yang ◽  
Balakrishnan Nagarajan ◽  
Pierre Mertiny
Keyword(s):  
Digital Image Analysis ◽  
Swelling Behavior ◽  
Optical Measurements ◽  
Natural Phenomenon ◽  
Cross Linking ◽  
Dimensional Changes ◽  
Experimental Findings ◽  
Carbon Based

Polymers may absorb fluids from their surroundings via the natural phenomenon of swelling. Dimensional changes due to swelling can affect the function of polymer components, such as in the case of seals, microfluidic components and electromechanical sensors. An understanding of the swelling behavior of polymers and means for controlling it can improve the design of polymer components, for example, for the previously mentioned applications. Carbon-based fillers have risen in popularity to be used for the property enhancement of resulting polymer composites. The present investigation focuses on the effects of three carbon-based nano-fillers (graphene nano-platelets, carbon black, and graphene nano-scrolls) on the dimensional changes of polydimethylsiloxane composites due to swelling when immersed in certain organic solvents. For this study, a facile and expedient methodology comprised of optical measurements in conjunction with digital image analysis was developed as the primary experimental technique to quantify swelling dimensional changes of the prepared composites. Other experimental techniques assessed polymer cross-linking densities and elastic mechanical properties of the various materials. The study revealed that the addition of certain carbon-based nano-fillers increased the overall swelling of the composites. The extent of swelling further depended on the organic solvent in which the composites were immersed in. Experimental findings are contrasted with published models for swelling prediction, and the role of filler morphology on swelling behavior is discussed.

scholarly journals Influence of the Electrolyte Salt Concentration on DNA Detection with Graphene Transistors

Biosensors ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 24
Author(s):  
Agnes Purwidyantri ◽  
Telma Domingues ◽  
Jérôme Borme ◽  
Joana Rafaela Guerreiro ◽  
Andrey Ipatov ◽  
...  
Keyword(s):  
Phosphate Buffer ◽  
Species Interactions ◽  
Field Effect ◽  
Field Effect Transistors ◽  
Limit Of Detection ◽  
Debye Length ◽  
Intermolecular Forces ◽  
Single Layer Graphene ◽  
Dna Adsorption

Liquid-gated Graphene Field-Effect Transistors (GFET) are ultrasensitive bio-detection platforms carrying out the graphene’s exceptional intrinsic functionalities. Buffer and dilution factor are prevalent strategies towards the optimum performance of the GFETs. However, beyond the Debye length (λD), the role of the graphene-electrolytes’ ionic species interactions on the DNA behavior at the nanoscale interface is complicated. We studied the characteristics of the GFETs under different ionic strength, pH, and electrolyte type, e.g., phosphate buffer (PB), and phosphate buffer saline (PBS), in an automatic portable built-in system. The electrostatic gating and charge transfer phenomena were inferred from the field-effect measurements of the Dirac point position in single-layer graphene (SLG) transistors transfer curves. Results denote that λD is not the main factor governing the effective nanoscale screening environment. We observed that the longer λD was not the determining characteristic for sensitivity increment and limit of detection (LoD) as demonstrated by different types and ionic strengths of measuring buffers. In the DNA hybridization study, our findings show the role of the additional salts present in PBS, as compared to PB, in increasing graphene electron mobility, electrostatic shielding, intermolecular forces and DNA adsorption kinetics leading to an improved sensitivity.

Prenatal exposure to persistent organic pollutants as a risk factor of offspring metabolic syndrome development during childhood

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Marlene Cervantes González
Keyword(s):  
Metabolic Syndrome ◽  
Organic Pollutants ◽  
Prenatal Exposure ◽  
Persistent Organic Pollutants ◽  
Animal Studies ◽  
Polychlorinated Biphenyl ◽  
Environmental Pollutants ◽  
Epidemiological Studies ◽  
Experimental Findings

Abstract Persistent Organic Pollutants (POPs) are exogenous, artificially made chemicals that can disrupt the biological system of individuals and animals. POPs encompass a variety of chemicals including, dioxins, organochlorines (OCs), polychlorinated biphenyl (PCBs), and perfluoroalkyl substances (PFASs) that contain a long half-life and highly resistant to biodegradation. These environmental pollutants accumulate over time in adipose tissues of living organisms and alter various insulin function-related genes. Childhood Metabolic Syndrome (MetS) consists of multiple cardiovascular risk factors, insulin function being one of them. Over the years, the incidence of the syndrome has increased dramatically. It is imperative to explore the role of persistent organic pollutants in the development of Childhood Metabolic Syndrome. Some epidemiological studies have reported an association between prenatal exposure to POPs and offspring MetS development throughout childhood. These findings have been replicated in animal studies in which these pollutants exercise negative health outcomes such as obesity and increased waist circumference. This review discusses the role of prenatal exposure to POPs among offspring who develop MetS in childhood, the latest research on the MetS concept, epidemiological and experimental findings on MetS, and the POPs modes of action. This literature review identified consistent research results on this topic. Even though the studies in this review had many strengths, one major weakness was the usage of different combinations of MetS criteria to measure the outcomes. These findings elucidate the urgent need to solidify the pediatric MetS definition. An accurate definition will permit scientists to measure the MetS as a health outcome properly and allow clinicians to diagnose pediatric MetS and provide individualized treatment appropriately.

DEVELOPMENT OF FEEDFORWARD RECEPTIVE FIELD STRUCTURE OF A SIMPLE CELL AND ITS CONTRIBUTION TO THE ORIENTATION SELECTIVITY: A MODELING STUDY

2005 ◽  
Vol 15 (01n02) ◽  
pp. 55-70 ◽  
Author(s):  
AKHIL R GARG ◽  
KLAUS OBERMAYER ◽  
BASABI BHAUMIK
Keyword(s):  
Receptive Field ◽  
Field Structure ◽  
Orientation Selectivity ◽  
Simple Cell ◽  
Homogeneous State ◽  
Synaptic Efficacy ◽  
Synaptic Interactions ◽  
Experimental Findings ◽  
Modeling Study

Recent experimental studies of hetero-synaptic interactions in various systems have shown the role of signaling in the plasticity, challenging the conventional understanding of Hebb's rule. It has also been found that activity plays a major role in plasticity, with neurotrophins acting as molecular signals translating activity into structural changes. Furthermore, role of synaptic efficacy in biasing the outcome of competition has also been revealed recently. Motivated by these experimental findings we present a model for the development of simple cell receptive field structure based on the competitive hetero-synaptic interactions for neurotrophins combined with cooperative hetero-synaptic interactions in the spatial domain. We find that with proper balance in competition and cooperation, the inputs from two populations (ON/OFF) of LGN cells segregate starting from the homogeneous state. We obtain segregated ON and OFF regions in simple cell receptive field. Our modeling study supports the experimental findings, suggesting the role of synaptic efficacy and the role of spatial signaling. We find that using this model we obtain simple cell RF, even for positively correlated activity of ON/OFF cells. We also compare different mechanism of finding the response of cortical cell and study their possible role in the sharpening of orientation selectivity. We find that degree of selectivity improvement in individual cells varies from case to case depending upon the structure of RF field and type of sharpening mechanism.

scholarly journals News about the Role of Fluid and Imaging Biomarkers in Neurodegenerative Diseases

Biomedicines ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 252
Author(s):  
Jacopo Meldolesi
Keyword(s):  
Neurodegenerative Diseases ◽  
Imaging Techniques ◽  
Imaging Biomarkers ◽  
Positron Emission ◽  
Specific Proteins ◽  
Great Relevance ◽  
The Brain ◽  
Positive Point

Biomarkers are molecules that are variable in their origin, nature, and mechanism of action; they are of great relevance in biology and also in medicine because of their specific connection with a single or several diseases. Biomarkers are of two types, which in some cases are operative with each other. Fluid biomarkers, started around 2000, are generated in fluid from specific proteins/peptides and miRNAs accumulated within two extracellular fluids, either the central spinal fluid or blood plasma. The switch of these proteins/peptides and miRNAs, from free to segregated within extracellular vesicles, has induced certain advantages including higher levels within fluids and lower operative expenses. Imaging biomarkers, started around 2004, are identified in vivo upon their binding by radiolabeled molecules subsequently revealed in the brain by positron emission tomography and/or other imaging techniques. A positive point for the latter approach is the quantitation of results, but expenses are much higher. At present, both types of biomarker are being extensively employed to study Alzheimer’s and other neurodegenerative diseases, investigated from the presymptomatic to mature stages. In conclusion, biomarkers have revolutionized scientific and medical research and practice. Diagnosis, which is often inadequate when based on medical criteria only, has been recently improved by the multiplicity and specificity of biomarkers. Analogous results have been obtained for prognosis. In contrast, improvement of therapy has been limited or fully absent, especially for Alzheimer’s in which progress has been inadequate. An urgent need at hand is therefore the progress of a new drug trial design together with patient management in clinical practice.

Hidden speech, private thoughts: a case study in peer conversation and educational choice

2021 ◽  
Vol 23 (1) ◽  
pp. 148-168
Author(s):  
Cherry Canovan ◽  
Rory McDonald ◽  
Naomi Fallon
Keyword(s):  
Young People ◽  
Widening Participation ◽  
Educational Choice ◽  
Older Students ◽  
Friendship Group ◽  
Great Relevance ◽  
The Uk ◽  
Peer Conversation

The role of peer and friendship-group conversation in educational and career choices is of great relevance to widening participation (WP) practitioners, but has been little studied in recent years. We interviewed young people and WP practitioners in Carlisle, an isolated city in the UK, to interrogate this subject. We found that young people were clearly discussing their future choices, sometimes overtly and sometimes in 'unacknowledged conversations'. However some topics and ambitions were seen as 'too private' to discuss; all of our young people had a plan for the future, but many believed that some of their friends did not, possibly because of this constraint. We also discuss the role of older students in informing choices, the phenomenon of 'clustering' that can lead to young people funnelli ng into certain options, and the role that geographical isolation might play in exacerbating some effects. Finally we give some recommendations for WP practice based on these findings.

The potential role of stress and sex steroids in heritable effects of sevoflurane

2021 ◽  
Author(s):  
Anatoly E Martynyuk ◽  
Ling-Sha Ju ◽  
Timothy E Morey
Keyword(s):  
Sex Steroids ◽  
Age Groups ◽  
Postnatal Period ◽  
Health Concern ◽  
General Anesthetics ◽  
Pharmacological Agents ◽  
Experimental Findings ◽  
Heritable Effects

Abstract Most surgical procedures require general anesthesia, which is a reversible deep sedation state lacking all perception. The induction of this state is possible because of complex molecular and neuronal network actions of general anesthetics (GAs) and other pharmacological agents. Laboratory and clinical studies indicate that the effects of GAs may not be completely reversible upon anesthesia withdrawal. The long-term neurocognitive effects of GAs, especially when administered at the extremes of ages, are an increasingly recognized health concern and the subject of extensive laboratory and clinical research. Initial studies in rodents suggest that the adverse effects of GAs, whose actions involve enhancement of GABA type A receptor activity (GABAergic GAs), can also extend to future unexposed offspring. Importantly, experimental findings show that GABAergic GAs may induce heritable effects when administered from the early postnatal period to at least young adulthood, covering nearly all age groups that may have children after exposure to anesthesia. More studies are needed to understand when and how the clinical use of GAs in a large and growing population of patients can result in lower resilience to diseases in the even larger population of their unexposed offspring. This minireview is focused on the authors’ published results and data in the literature supporting the notion that GABAergic GAs, in particular sevoflurane, may upregulate systemic levels of stress and sex steroids and alter expressions of genes that are essential for the functioning of these steroid systems. The authors hypothesize that stress and sex steroids are involved in the mediation of sex-specific heritable effects of sevoflurane.

Role of Intermolecular Forces in Defining Material Properties of Protein Nanofibrils

Science ◽  
2007 ◽  
Vol 318 (5858) ◽  
pp. 1900-1903 ◽  
Author(s):  
T. P. Knowles ◽  
A. W. Fitzpatrick ◽  
S. Meehan ◽  
H. R. Mott ◽  
M. Vendruscolo ◽  
...  
Keyword(s):  
Material Properties ◽  
Intermolecular Forces

scholarly journals Multivalent weak interactions enhance selectivity of interparticle binding

2020 ◽  
Vol 117 (37) ◽  
pp. 22690-22697 ◽  
Author(s):  
M. R. W. Scheepers ◽  
L. J. van IJzendoorn ◽  
M. W. J. Prins
Keyword(s):  
Targeted Drug Delivery ◽  
Colloidal Particles ◽  
High Selectivity ◽  
Weak Interactions ◽  
Theoretical Work ◽  
Coated Particles ◽  
Receptor Interactions ◽  
Two Factors ◽  
Experimental Findings

Targeted drug delivery critically depends on the binding selectivity of cargo-transporting colloidal particles. Extensive theoretical work has shown that two factors are necessary to achieve high selectivity for a threshold receptor density: multivalency and weak interactions. Here, we study a model system of DNA-coated particles with multivalent and weak interactions that mimics ligand–receptor interactions between particles and cells. Using an optomagnetic cluster experiment, particle aggregation rates are measured as a function of ligand and receptor densities. The measured aggregation rates show that the binding becomes more selective for shorter DNA ligand–receptor pairs, proving that multivalent weak interactions lead to enhanced selectivity in interparticle binding. Simulations confirm the experimental findings and show the role of ligand–receptor dissociation in the selectivity of the weak multivalent binding.

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