Morphological, Biological, and Molecular Characterization of Type I Granuloviruses of Spodoptera frugiperda.

Granuloviruses (GVs) Betabaculovirus associated with the fall armyworm (FAW), Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae), especially those of the type I, have scarcely been studied. These GVs might be an effective alternative for the biocontrol of this insect. In this study, the native GVs SfGV-CH13 and SfGV-CH28 were isolated from FAW larvae and characterized for morphology, molecular traits, and insecticidal activity. The elapsed time between symptomatic infection of larvae and stop feeding as well as the weight of larvae before death or prior to pupation were also evaluated. Both GVs had ovoid shape and a length of 0.4 µm. They had the same DNA restriction profiles and their genome sizes were about 126 kb. The symptomatic infection with the tested GVs mainly caused flaccidity of larva body and discoloration of integument. The integument lysis was only observed in 8% of infected larvae. Infected larvae gradually stopped feeding. Overall, these symptoms are characteristic of infections caused by type I GVs, which are known as monoorganotropic or slow-killing GVs. The median lethal dose (LD50) values for SfGV-CH13 and SfGV-CH28 isolates were 5.4 × 102 and 1.1 × 103 OBs/larva, respectively. The median lethal time (LT50) ranged from 17 to 24 days. LT50 values decreased as the viral dose was increased. The elapsed time from symptomatic infection until pupation and body weight of larvae (third instar) were higher with SfGV-CH28 than SfGV-CH13. Both granulovirus isolates were able to kill the FAW larvae from the 12th day.

The MATH test. A three-phase assay?

This study aimed to investigating the possible interference caused by glass test tubes on the quantification of bacterial adhesion to hydrocarbons by the MATH test. The adhesion of four bacteria to hexadecane and to glass test tubes was evaluated employing different suspending polar phases. The role of the ionic strength of the polar phase regarding adhesion to glassware was investigated. Within the conditions studied, Gram-positive bacteria adhered to both the test tube and the hydrocarbon regardless of the polar phase employed; meanwhile, Escherichia coli ATCC 25922 did not attach to either one. The capacity of the studied microorganisms to adhere to glassware was associated with their electron-donor properties. The ionic strength of the suspending media altered the patterns of adhesion to glass in a strain-specific manner by defining the magnitude of electrostatic repulsion observed between bacteria and the glass surface. This research demonstrated that glass test tubes may interact with suspended bacterial cells during the MATH test under specific conditions, which may lead to overestimating the percentage of adhesion to hydrocarbons and, thus, to erroneous values of cell surface hydrophobicity.

Efficient Electron Hopping Transport through Azurin-Based Junctions.

We conducted a theoretical study of electron transport through junctions of the blue-copper azurin from Pseudomonas aeruginosa. We found that single-site hopping can lead to either higher or lower current values compared to fully coherent transport. This depends on the structural details of the junctions as well as the alignment of the protein orbitals. Moreover, we show how the asymmetry of the IV curves can be affected by the position of the tip in the junction and that, under specific conditions, such a hopping mechanism is consistent with a fairly low temperature dependence of the current. Finally, we show that increasing the number of hopping sites leads to higher hopping currents. Our findings, from fully quantum calculations, provide deep insight to help guide the interpretation of experimental IV curves on highly complex systems.

Effect of Water Activity, pH, and Lactic Acid Bacteria to Inhibit Escherichia coli during Chihuahua Cheese Manufacture.

This study aimed to evaluate the effectiveness of pH control, water activity (Aw), and the addition of lactic acid bacteria (LAB) on the proliferation of Escherichia coli in the curd during the manufacturing of Chihuahua cheese. Milk proved to be an excellent culture medium for E. coli, allowing it to develop at concentrations up to 109 cfu/g. However, the presence of LAB, the pH control, Aw, and especially the use of the Cheddarization process during the Chihuahua cheese production proved to be important obstacles that inhibited the proliferation of E. coli under the conditions studied. Moreover, reducing the water activity of the curd as quickly as possible is presented as the most powerful tool to inhibit the development of E. coli during the Chihuahua cheese-making process.

Associations between early in-hospital medications and the development of delirium in patients with stroke.

OBJECTIVES: Patients hospitalized with stroke develop delirium at higher rates than general hospitalized patients. While several medications are associated with existing delirium, it is unknown whether early medication exposures are associated with subsequent delirium in patients with stroke. Additionally, it is unknown whether delirium identification is associated with changes in the prescription of these medications. MATERIALS AND METHODS: We conducted a retrospective cohort study of patients admitted to a comprehensive stroke center, who were assessed for delirium by trained nursing staff during clinical care. We analyzed exposures to multiple medication classes in the first 48 h of admission, and compared them between patients who developed delirium >48 hours after admission and those who never developed delirium. Statistical analysis was performed using univariate testing. Multivariable logistic regression was used further to evaluate the significance of univariately significant medications, while controlling for clinical confounders. RESULTS: 1671 unique patients were included in the cohort, of whom 464 (27.8%) developed delirium >48 hours after admission. Delirium was associated with prior exposure to antipsychotics, sedatives, opiates, and antimicrobials. Antipsychotics, sedatives, and antimicrobials remained significantly associated with delirium even after accounting for several clinical covariates. Usage of these medications decreased in the 48 hours following delirium identification, except for atypical antipsychotics, whose use increased. Other medication classes such as steroids, benzodiazepines, and sleep aids were not initially associated with subsequent delirium, but prescription patterns still changed after delirium identification. CONCLUSIONS: Early exposure to multiple medication classes is associated with the subsequent development of delirium in patients with stroke. Additionally, prescription patterns changed following delirium identification, suggesting that some of the associated medication classes may represent modifiable targets for future delirium prevention strategies, although future study is needed.

Molecular Identification from AFM Images Using the IUPAC Nomenclature and Attribute Multimodal Recurrent Neural Networks.

Spectroscopic methods─like nuclear magnetic resonance, mass spectrometry, X-ray diffraction, and UV/visible spectroscopies─applied to molecular ensembles have so far been the workhorse for molecular identification. Here, we propose a radically different chemical characterization approach, based on the ability of noncontact atomic force microscopy with metal tips functionalized with a CO molecule at the tip apex (referred as HR-AFM) to resolve the internal structure of individual molecules. Our work demonstrates that a stack of constant-height HR-AFM images carries enough chemical information for a complete identification (structure and composition) of quasiplanar organic molecules, and that this information can be retrieved using machine learning techniques that are able to disentangle the contribution of chemical composition, bond topology, and internal torsion of the molecule to the HR-AFM contrast. In particular, we exploit multimodal recurrent neural networks (M-RNN) that combine convolutional neural networks for image analysis and recurrent neural networks to deal with language processing, to formulate the molecular identification as an imaging captioning problem. The algorithm is trained using a data set─which contains almost 700,000 molecules and 165 million theoretical AFM images─to produce as final output the IUPAC name of the imaged molecule. Our extensive test with theoretical images and a few experimental ones shows the potential of deep learning algorithms in the automatic identification of molecular compounds by AFM. This achievement supports the development of on-surface synthesis and overcomes some limitations of spectroscopic methods in traditional solution-based synthesis.

Experimental Data Confirm Carrier-Cascade Model for Solid-State Conductance across Proteins.

The finding that electronic conductance across ultrathin protein films between metallic electrodes remains nearly constant from room temperature to just a few degrees Kelvin has posed a challenge. We show that a model based on a generalized Landauer formula explains the nearly constant conductance and predicts an Arrhenius-like dependence for low temperatures. A critical aspect of the model is that the relevant activation energy for conductance is either the difference between the HOMO and HOMO-1 or the LUMO+1 and LUMO energies instead of the HOMO-LUMO gap of the proteins. Analysis of experimental data confirms the Arrhenius-like law and allows us to extract the activation energies. We then calculate the energy differences with advanced DFT methods for proteins used in the experiments. Our main result is that the experimental and theoretical activation energies for these three different proteins and three differently prepared solid-state junctions match nearly perfectly, implying the mechanism's validity.

Effect of High Temperature and UV Radiation on the Insecticidal Capacity of a Spodoptera frugiperda Nucleopolyhedrovirus Microencapsulated in a Matrix Based on Oxidized Corn Starch.

A multiple nucleopolyhedrovirus native isolate (SfCH32) of Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae) was encapsulated by spray-drying in a matrix based on oxidized corn starch without and with a fluorescent brightener. The microcapsules were exposed to UV radiation (365 nm) for 0, 2, 4, and 8 h at 25 °C or temperatures of 35, 40, and 45 °C for 8 h. The data obtained with temperatures 35, 40, and 45 °C were contrasted with those obtained at 25 °C. The microcapsules were evaluated for size, shape, and insecticidal capacity against third instar S. frugiperda larvae under laboratory conditions. The 82-84.2% of the encapsulating matrix, in a dry-weight basis, was recovered as NPV microcapsules of heterogeneous shape and size. The exposure to UV radiation and temperatures reduced significantly the insecticidal capacity of tested viruses; however, such capacity was higher for microencapsulated than for non-microencapsulated viruses. The non-encapsulated virus that had been exposed to 45 °C or maintained at UV radiation for 8 h showed the lowest insecticidal activity at 5th day post-inoculation, with a larvae mortality of 25.3 and 16%, respectively. The fluorescent brightener increased significantly the insecticidal capacity of encapsulated and non-encapsulated viruses, causing a mortality of 100% at that time point, and decreased the median lethal time independently of the incubation temperature and exposure time to radiation. The findings suggested that an encapsulating matrix based on oxidized corn starch might protect the insecticidal capacity of NPV under field conditions.

Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes.

The metal-organic framework MOF-808 contains Zr6O8 nodes with a high density of vacancy sites, which can incorporate carboxylate-containing functional groups to tune chemical reactivity. Although the postsynthetic methods to modify the chemistry of the Zr6O8 nodes in MOFs are well known, tackling these alterations from a structural perspective is still a challenge. We have combined infrared spectroscopy experiments and first-principles calculations to identify the presence of node vacancies accessible for chemical modifications within the MOF-808. We demonstrate the potential of our approach to assess the decoration of MOF-808 nodes with different catechol-benzoate ligands. Furthermore, we have applied advanced synchrotron characterization tools, such as pair distribution function analyses and X-ray absorption spectroscopy, to resolve the atomic structure of single metal sites incorporated into the catechol groups postsynthetically. Finally, we demonstrate the catalytic activity of these MOF-808 materials decorated with single copper sites for 1,3-dipolar cycloadditions.

Growth Promotion of Phaseolus vulgaris and Arabidopsis thaliana Seedlings by Streptomycetes Volatile Compounds

Streptomyces are recognized as antipathogenic agents and plant-growth-promoting rhizobacteria. The objective of this study was to evaluate the capacities of four antifungal Streptomyces strains to: produce the substances that are involved in plant growth; solubilize phosphates; and fix nitrogen. The effects of the volatile organic compounds (VOCs) that are emitted by these strains on the growth promotion of Arabidopsis thaliana and Phaseolus vulgaris L. (var. Pinto Saltillo) seedlings were also tested. All of the Streptomyces strains produced indole-3-acetic acid (IAA) (10.0 mg/L to 77.5 mg/L) and solubilized phosphates, but they did not fix nitrogen. In vitro assays showed that the VOCs from Streptomyces increased the shoot fresh weights (89-399%) and the root fresh weights (94-300%) in A. thaliana seedlings; however, these effects were less evident in P. vulgaris. In situ experiments showed that all the Streptomyces strains increased the shoot fresh weight (11.64-43.92%), the shoot length (11.39-29.01%), the root fresh weight (80.11-140.90%), the root length (40.06-59.01%), the hypocotyl diameter (up to 6.35%), and the chlorophyll content (up to 10.0%) in P. vulgaris seedlings. 3-Methyl-2-butanol had the highest effect among the ten pure VOCs on the growth promotion of A. thaliana seedlings. The tested Streptomyces strains favored biomass accumulation in A. thaliana and P. vulgaris seedlings.

QUAM-AFM: A Free Database for Molecular Identification by Atomic Force Microscopy.

This paper introduces Quasar Science Resources-Autonomous University of Madrid atomic force microscopy image data set (QUAM-AFM), the largest data set of simulated atomic force microscopy (AFM) images generated from a selection of 685,513 molecules that span the most relevant bonding structures and chemical species in organic chemistry. QUAM-AFM contains, for each molecule, 24 3D image stacks, each consisting of constant-height images simulated for 10 tip-sample distances with a different combination of AFM operational parameters, resulting in a total of 165 million images with a resolution of 256 × 256 pixels. The 3D stacks are especially appropriate to tackle the goal of the chemical identification within AFM experiments by using deep learning techniques. The data provided for each molecule include, besides a set of AFM images, ball-and-stick depictions, IUPAC names, chemical formulas, atomic coordinates, and map of atom heights. In order to simplify the use of the collection as a source of information, we have developed a graphical user interface that allows the search for structures by CID number, IUPAC name, or chemical formula.

Virulence variations between clonal complexes of Melisococcus plutonius and the possible causes.

Melissococcus plutonius is a pathogenic bacterium that affects honeybee brood triggering colony collapse in severe cases. The bacterium causes a European foulbrood (EFB) disease in the honeybee populations, impacting beekeeping and agricultural industries. The pathogenesis, epidemiology, and variants of M. plutonius have been studied, but the virulence factors involved in larval infection are still unknown. Recently, an in-silico study suggested putative genes that might play a role in the pathogenesis of EFB. However, studies are required to determine their function as virulence factors. In addition, the few studies of clonal complexes (CCs), virulence factors, and variation in the honeybee larvae mortality have interfered with the development of more efficient control methods. The research, development, and differences in virulence between genetic variants (CCs) of M. plutonius and potential virulence factors implicated in honeybee larval mortality are discussed in this review.

Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images.

High resolution non-contact atomic force microscopy measurements characterize assemblies of trimesic acid molecules on Cu(111) and the link group interactions, providing the first fingerprints utilizing CO-based probes for this widely studied paradigm for hydrogen bond driven molecular self assembly. The enhanced submolecular resolution offered by this technique uniquely reveals key aspects of the competing interactions. Accurate comparison between full-density-based modeled images and experiment allows to identify key structural elements in the assembly in terms of the electron-withdrawing character of the carboxylic groups, interactions of those groups with Cu atoms in the surface, and the valence electron density in the intermolecular region of the hydrogen bonds. This study of trimesic acid assemblies on Cu(111) combining high resolution atomic force microscopy measurements with theory and simulation forges clear connections between fundamental chemical properties of molecules and key features imprinted in force images with submolecular resolution.

A Deep Learning Approach for Molecular Classification Based on AFM Images.

In spite of the unprecedented resolution provided by non-contact atomic force microscopy (AFM) with CO-functionalized and advances in the interpretation of the observed contrast, the unambiguous identification of molecular systems solely based on AFM images, without any prior information, remains an open problem. This work presents a first step towards the automatic classification of AFM experimental images by a deep learning model trained essentially with a theoretically generated dataset. We analyze the limitations of two standard models for pattern recognition when applied to AFM image classification and develop a model with the optimal depth to provide accurate results and to retain the ability to generalize. We show that a variational autoencoder (VAE) provides a very efficient way to incorporate, from very few experimental images, characteristic features into the training set that assure a high accuracy in the classification of both theoretical and experimental images.

Method-induced variation in the bacterial cell surface hydrophobicity MATH test.

Bacterial cell surface hydrophobicity is a relevant property in determining the ability of bacteria to adhere to inert surfaces. This property has been measured using the microbial adhesion to hydrocarbon (MATH) test. Several reports in the literature establish the percentage of adhesion to hydrocarbons (PoAtH) value produced by the MATH test for a broad variety of bacteria. Discrepancies in PoAtH values reported for the same strain of a specific microorganism suggest that some method-induced variation may exist, as different research teams employ different versions of the assay. The objective of the present study was to compare the performance of different versions of the MATH test as reported in the literature, to quantify the magnitude of the method-induced variation on PoAtH values. The study demonstrated that PoAtH values are influenced twice as much by variations in the employed assay than by actual differences in cell surface composition or architecture. The two L. reuteri strains studied responded differently to changes in assay conditions showing 40 and 70% method-dependent variation for strain ATCC 53609 and 55730, respectively. These results highlight the need to properly standardize the MATH test to enable comparison of PoAtH values produced by independent research teams.

Impact of Small Adsorbates in the Vibrational Spectra of Mg- and Zn-MOF-74 Revealed by First-Principles Calculations.

In this work, we analyze the influence of small adsorbates on the vibrational spectra of Mg- and Zn-metal-organic framework MOF-74 by means of first-principles calculations. In particular, we consider the adsorption of four representative species of different interaction strengths: Ar, CO2, H2O, and NH3. Apart from a comprehensive characterization of the structural and energetic aspects of empty and loaded MOFs, we use a fully quantum ab initio approach to evaluate the Raman and IR activities of the normal modes, leading to the construction of the whole vibrational spectra. Under this approach, not only are we able to proceed with the complete assignment of the spectra in terms of the usual internal coordinates but also we can discern the most relevant vibrational fingerprints of the adsorbates and their impact on the whole MOF spectra. On the one hand, some of the typical vibrational modes of the small molecules are slightly shifted but still visible when adsorbed on the MOFs, especially those appearing at high wavenumbers where the empty MOFs lack IR/Raman signals. On the other hand, some bands arising from the organic ligands are affected by the presence of the absorbates, displaying non-negligible frequency shifts, in agreement with recent experiments. We find a strong correlation between all of these frequency shifts and the interaction strength of the adsorbate with the hosting framework. The findings presented in this work expand the capabilities of vibrational spectroscopy techniques to analyze porous materials and can be useful for the design of sensors and new devices based on MOF technology.

Surface-controlled reversal of the selectivity of halogen bonds.

Intermolecular halogen bonds are ideally suited for designing new molecular assemblies because of their strong directionality and the possibility of tuning the interactions by using different types of halogens or molecular moieties. Due to these unique properties of the halogen bonds, numerous areas of application have recently been identified and are still emerging. Here, we present an approach for controlling the 2D self-assembly process of organic molecules by adsorption to reactive vs. inert metal surfaces. Therewith, the order of halogen bond strengths that is known from gas phase or liquids can be reversed. Our approach relies on adjusting the molecular charge distribution, i.e., the σ-hole, by molecule-substrate interactions. The polarizability of the halogen and the reactiveness of the metal substrate are serving as control parameters. Our results establish the surface as a control knob for tuning molecular assemblies by reversing the selectivity of bonding sites, which is interesting for future applications.

Characterization of insect chitosan films from Tenebrio molitor and Brachystola magna and its comparison with commercial chitosan of different molecular weights.

Insects are considered as alternative sources of chitosan; however, studies about the functional film-forming properties of insect chitosan are scarce. Insect chitosan films were made from Tenebrio molitor and Brachystola magna and were compared with commercial chitosan of different molecular weights (Mw). Mechanical properties (tensile strength, TS; elastic modulus, EM; elongation at break, %E), water vapor permeability (WVP) and physicochemical properties were characterized. The film properties of both commercial and insect chitosan were affected by Mw. Commercial chitosan films showed that at lower Mw, the TS (from 59 to 48 MPa) and EM (from 1471 to 1286 MPa) decreased; whereas WVP (from 2.9 × 10-11 to 3.4 × 10-11 g m-1s-1Pa-1), % E (from 38 to 41%) and solubility (from 30 to 33%) increased. Chitosan insect films showed lower TS and EM, and higher WPV, %E and solubility than commercial films. SEM revealed that chitosan insect films had lower porosity than commercial films. FTIR and X-ray diffraction showed not difference between insect and commercial chitosan films. These results showed that T. molitor and B. magna chitosan films could be used as a packaging material in several food products.

Influencia de la escuela, familia y medios de comunicación en el proceso de socialización política de estudiantes de primaria: Análisis en el contexto de Nuevo León, México / School, family and media influence on the process of political socialization of primary students: Analysis in the context of Nuevo León, Mexico

Resumen: La socialización política implica el desarrollo de las concepciones del mundo político. Si bien la escuela es considerada un agente básico de socialización de los niños, otros actores también contribuyen a determinar su cultura política, como la familia o los medios de comunicación. Este artículo busca determinar el grado de influencia de estos agentes en el desarrollo del compromiso político de los niños. Para ello, se aplicó una encuesta a una muestra representativa (N = 1009) de los estudiantes de primaria en el estado mexicano de Nuevo León. Se evaluó el nivel de atención a contenidos políticos en medios tradicionales y sociales, de conversación política en familia y de formación cívico-política recibida en la escuela, como variables independientes, y el interés político, el conocimiento político y el sentimiento de eficacia política, como dependientes. Los resultados muestran un impacto relevante de la formación cívico-política de la escuela y la atención a política en medios tradicionales sobre las orientaciones estudiadas. Sin embargo, la conversación política en familia y el seguimiento de política en medios sociales tuvieron una baja influencia. Se reflexiona acerca de las implicaciones que estas relaciones explicativas tienen en la configuración de la cultura política de los niños.

Abstract: Political socialization implies the development of conceptions about the political world. Although school is considered the basic agent for the socialization of children, there are other actors that also contribute to their political culture, as the family or the media. This paper aims to determine the degree of influence of these agents in the crystallization of children's political engagement. To do this, a survey was carried out to a representative sample (N = 1009) of primary school students in the Mexican state of Nuevo León. The level of attention to political content in traditional and social media, conversation among family, and civic-political education received in the school were used as independent variables. Political interest, political knowledge and political efficacy were evaluated as dependent ones. Findings show a relevant effect from the civic-political education in the school and the political attention in traditional media on the political orientations studied. However, conversation among family, and political attention in social media had a low influence. The implications that these explanatory relationships have in the configuration of the children's political culture are discussed.