TOMMicroNet: Convolutional Neural Networks for Smartphone-Based Microscopic Detection of Tomato Biotic and Abiotic Plant Health Issues.

The image-based detection and classification of plant diseases has become increasingly important to the development of precision agriculture. We consider the case of tomato, a high-value crop supporting the livelihoods of many farmers around the world. Many biotic and abiotic plant health issues impede the efficient production of this crop, and laboratory-based diagnostics are inaccessible in many remote regions. Early detection of these plant health issues is essential for efficient and accurate response, prompting exploration of alternatives for field detection. Considering the availability of low-cost smartphones, artificial intelligence-based classification facilitated by mobile phone imagery can be a practical option. This study introduces a smartphone-attachable 30x microscopic lens, used to produce the novel tomato microimaging dataset of 8500 images representing 34 tomato plant conditions on the upper and lower sides of leaves as well as on the surface of tomato fruits. We introduce TOMMicroNet, a 14-layer convolutional neural network (CNN) trained to classify amongst biotic and abiotic plant health issues, and we compare it against six existing pre-trained CNN models. We compared two separate pipelines of grouping data for training TOMMicroNet, either presenting all data at once or separating into subsets based on the three parts of the plant. Comparing configurations based on cross-validation and F1 scores, we determined that TOMMicroNet attained the highest performance when trained on the complete dataset, with 95% classification accuracy on both training and external datasets. Given TOMMicroNet's capabilities when presented with unfamiliar data, this approach has the potential for the identification of plant health issues.

Influence of chemical potential on shape evolution of 2D-MoS2flakes produced by chemical vapor deposition.

High-quality, ultrathin 2D- MoS2 layers with large area were grown on SiO2/Si substrates by using chemical vapor deposition (CVD) at elevated temperatures. The growth precursors (MoO3 and S) were placed separately inside the double zone furnace to control the growth parameters individually for better flexibility in the growth process. In this study, it was found that the shape and edge structure of the evolved MoS2 flakes were significantly influenced by the chemical potential of the Mo and S precursor concentration. In keeping with the concentration gradient of Mo precursor (MoO3) on the substrate surface, the shape of MoS2 flakes changed from hexagonal to truncated triangle and then to triangular shapes owing to the Mo-rich to S-rich conditions. The surface roughness and thickness of the differently shaped MoS2 flakes were studied by using an atomic force microscope (AFM). Additionally, Raman and photoluminescence (PL) techniques were employed to characterize the crystalline quality, a number of grown layers and optical performance of the as-grown MoS2 layers. Auger electron spectroscopy (AES) analysis and scanning electron microscopy (SEM) confirmed that the equilibrium crystal shape of the MoS2 was hexagonal under Mo rich conditions. However, the shape of the MoS2 crystal changed to a triangle under S rich conditions. Furthermore, the influence of chemical potential on the edge structure of the monolayer MoS2 and its effect on the equilibrium shape of the crystal were studied.

Influence of chemical potential on shape evolution of 2D-MoS2 flakes produced by chemical vapor deposition.

High-quality, ultrathin 2D-MoS2 layers with large area were grown on SiO2/Si substrates by using atmospheric pressure chemical vapor deposition (APCVD) at elevated temperatures. The growth precursors (MoO3 and S) were placed separately inside the double-zone furnace to control the growth parameters individually for better flexibility in the growth process. In this study, it was found that the shape and edge structure of the evolved MoS2 flakes were significantly influenced by the chemical potential of the Mo and S precursor concentration. In keeping with the concentration gradient of the Mo precursor (MoO3) on the substrate surface, the shape of MoS2 flakes changed from hexagonal to truncated triangle and then to triangular shapes, owing to the Mo-rich to S-rich conditions. The surface roughness and thickness of the differently shaped MoS2 flakes were studied by using atomic force microscope (AFM). Additionally, Raman and photoluminescence (PL) techniques were employed to characterize the crystalline quality, number of grown layers and optical performance of the as-grown MoS2 layers. Auger electron spectroscopy (AES) analysis and scanning electron microscopy (SEM) confirmed that the equilibrium crystal shape of the MoS2 was hexagonal under Mo-rich conditions. However, the shape of the MoS2 crystal changed to a triangle under S-rich conditions. Furthermore, the influence of chemical potential on the edge structure of the monolayer MoS2 and its effect on the equilibrium shape of the crystal were studied.

Transmembrane exchange of hyperpolarized 13C-urea in human erythrocytes: subminute timescale kinetic analysis.

The rate of exchange of urea across the membranes of human erythrocytes (red blood cells) was quantified on the 1-s to 2-min timescale. (13)C-urea was hyperpolarized and subjected to rapid dissolution and the previously reported (partial) resolution of (13)C NMR resonances from the molecules inside and outside red blood cells in suspensions was observed. This enabled a stopped-flow type of experiment to measure the (initially) zero-trans transport of urea with sequential single-pulse (13)C NMR spectra, every second for up to ~2 min. Data were analyzed using Bayesian reasoning and a Markov chain Monte Carlo method with a set of simultaneous nonlinear differential equations that described nuclear magnetic relaxation combined with transmembrane exchange. Our results contribute to quantitative understanding of urea-exchange kinetics in the whole body; and the methodological approach is likely to be applicable to other cellular systems and tissues in vivo.

Synthesis of V-shaped MnO2 nanostructure and its composites with reduced graphene oxide for supercapacitor application.

A unique V-shaped MnO2 nanostructure is synthesized with a weak acid (acetic acid) using the microwave-assisted hydrothermal technique. To improve the performance of MnO2 in supercapacitor applications, its composite was prepared with reduced graphene oxide (rGO), i.e., MnO2/rGO, with different weight ratios of MnO2 and rGO. The specific capacitance values of the as-synthesized V-shaped MnO2 nanostructure and MnO2/rGO nanocomposite were calculated to be 64.75 and 88.95 F g-1 at a current density of 0.5 A g-1, respectively, in 1 M Na2SO4 electrolyte. Furthermore, a two-electrode asymmetric supercapacitor device was fabricated using the MnO2/rGO nanocomposite as a positive electrode and activated carbon as a negative electrode. The device has shown energy densities of 25.14 and 17.95 W h kg-1 at 0.25 and 1 kW kg-1 power densities, respectively. These values suggest that the MnO2/rGO nanocomposite is a promising material for supercapacitor devices.

Site-selective synthesis of in situ Ni-filled multi-walled carbon nanotubes using Ni(salen) as a catalyst source.

The synthesis of Ni-filled multi-walled carbon nanotubes was performed by atmospheric pressure chemical vapor deposition with propane on Si at 850 °C using a simple mixture of (N, N'-bis(salicylidene)-ethylenediiminato) nickel(II), commonly known as Ni(salen), and a conventional photoresist. Analysis of the carbon nanotubes using scanning electron microscopy together with high-resolution transmission electron microscopy show that the nanotubes have grown by a tip-growth mechanism and exhibit a multi-walled structure with partial Ni filling. The high quality of the Ni-filled nanotubes is evidenced by Raman spectroscopy. The magnetic properties of Ni-filled nanotubes were analyzed using a superconducting quantum interference device which revealed their ferromagnetic behavior with large coercivity. A scalable as well as site-selective growth of high quality Ni-filled carbon nanotubes is achieved by a simple photolithographic method.

Pre-heating effect on the catalytic growth of partially filled carbon nanotubes by chemical vapor deposition.

The surface reconstruction of the Fe catalyst films due to high temperature processing in hydrogen prior to nanotube nucleation and its effect on the growth morphologies of partially filled carbon nanotubes (CNTs) synthesized using atmospheric pressure chemical vapor deposition (APCVD) of propane was investigated. Results show that pre-heating of the catalyst film deeply influences the particle size distribution, which governs the growth morphologies of the corresponding CNTs. The distribution of the catalyst particles over the Si substrate was analyzed before and after the heat treatment by atomic force microscopy (AFM) which reveals that heat treatment causes clusters of catalyst to coalesce and form macroscopic islands. The X-ray diffraction (XRD) pattern of the grown material indicates that they are graphitic in nature. Scanning electron microscopy (SEM) analysis suggested that the growth density strongly depends on the pre heat treatment of the Fe catalyst film. Multiwalled CNTs with partial catalyst filling were observed via high-resolution transmission electron microscopy (HRTEM) measurements. The degree of graphitization of the CNTs also depends on the pre heating as demonstrated by Raman analysis. A simple model for the growth of partially catalyst filled nanotubes is proposed.

Surface passivation dictated site-selective growth of aligned carbon nanotubes.

Surface defects play a significant role in the nucleation and growth of metal particles. Site-selective nucleation of metal catalyst particles, and the subsequent growth of nanostructures, could thus be accomplished by defect engineering. This paper demonstrates the switching of growth sites of vertically aligned multiwall carbon nanotubes (MW-CNTs) by manipulation of surface passivation of the substrate and discusses the possible mechanism behind this selectivity. A complementary growth pattern of CNTs is observed for pre-treatment of identically patterned SiO2/Si substrates under a reducing and non-reducing atmosphere. Variation in the number density of oxygen vacancies on the silicon dioxide surface and the presence of native oxide on the silicon face are believed to dictate the observed selectivity. The CNT architectures mimic the substrate pattern meticulously, exhibiting sharp edges, illustrating a high degree of site selectivity. The chemical state of the substrate surface and catalyst particles has been studied using Auger electron spectroscopy. Electron microscopy and Raman spectroscopy were employed to characterize the synthesized CNTs. The Hermans orientation factor was calculated to quantify the degree of alignment of the MWCNTs. Such facile control over the growth site of aligned carbon nanotubes on a substrate is a desirable aspect of synthesis for easy integration with existing silicon fabrication technology.

Screening for cocrystallization tendency: the role of intermolecular interactions.

Pharmaceutical cocrystals have rapidly emerged as a new class of API solids with great promise and advantages. Much work has been focused on exploring the crystal engineering and design strategies that facilitate formation of cocrystals of APIs and ligands/cocrystal formers. However, fewer attempts have been made to understand the equilibrium phase behavior and phase transition kinetics of the cocrystallizing solutions. This limited knowledge on the solution physical chemistry often leads to difficulty in screening for potential molecular pairs of API and ligand that form cocrystals effectively. In this study, the long-time self-diffusivities measured using pulsed gradient spin-echo nuclear magnetic resonance (PGSE NMR) are used to characterize the particle interactions in solutions for pharmaceutical cocrystallizing systems. For the pairs of API and ligand that produce cocrystals, the heteromeric attractions between API and ligand are found to be stronger than the homomeric attractions between API molecules and between ligand molecules, suggesting that an energetically favorable condition is induced for the formation of cocrystals. To the best of our knowledge, this is the first report of using the pair contribution of the self-diffusivity as a screening tool for cocrystal formation.

Dynamics of polycyclic aromatic hydrocarbons (PAHs) in surface sediments of Cochin estuary, India.

Polycyclic aromatic hydrocarbons (PAHs) showed significant seasonal dynamics in surface sediments of a tropical ecosystem (Cochin estuary, south west coast of India). Concentrations ranged from 304 to 5874ngg-1 in pre-monsoon, 493 to 14,149ngg-1 in monsoon, and 194 to 10,691ngg-1 in post-monsoon. The estuary was moderately contaminated with low molecular weight PAH fractions, which increased rapidly during the monsoon season indicating land/river runoff as the major transport pathway. The dominance of 2-3 ring fractions in the PAH indicated petrogenic and low temperature combustion processes as major sources, while the very low levels of 5-6 ring components indicated low contribution from pyrolytic sources. Low molecular weight fractions were higher in concentration than the Effective Range-Median (ERM) levels, whereas high molecular weight PAHs were lower than the Effective Range-Low values (ERL). Calculated carcinogenic toxicity equivalents (TEQ) values ranged from 1 to 971ngg-1 in the surface sediments.

GB virus C/hepatitis G virus and TT virus infections among high risk renal transplant recipients in India.

BACKGROUND: GB virus C/hepatitis G virus (GBV-C/HGV) and TT virus (TTV) have been widely reported in patients with high parenteral risk such as haemodialysis and renal transplant recipients. The occurrence of these agents in association with hepatitis B virus (HBV) and hepatitis C virus (HCV), in Indian renal transplant recipients, is yet unreported. STUDY DESIGN: Molecular and serological markers of GBV-C/HGV and TTV were examined in addition to those for HBV, HCV and hepatitis D virus (HDV) in a selected group of seventy renal transplant recipients. HGV RNA detection was achieved using primers specific for the 5'NCR and NS5a regions of the genome. Anti-GBV-C/HGV antibody was detected using the mu plate anti-HG env kit (Roche, Germany). TTV DNA PCR was performed using primers specific for the coding region (method A) of the genome. In 50% of patients, TTV DNA was also tested for using primers specific for the non-coding region (method B). Host related factors such as age, alanine aminotransferase (ALT) levels, number of transfusions, haemodialysis sessions, and months following transplantation were also studied. RESULTS: Exposure rates to GBV-C/HGV, TTV (method A), HBV, HCV and HDV were 58.6, 32.9, 52.9, 54.3 and 2.9%, respectively. 'Active' infection as measured by viraemia and/or virus-specific antigenaemia for GBV-C/HGV, TTV, HBV and HCV was 52.9, 32.9, 15.7 and 52.9%, respectively. The majority of GBV-C/HGV and TTV infections were seen as co-infections with other hepatitis viruses. Single infection with GBV-C/HGV and TTV was seen in ten (14.2%) and eight (11.4%) patients, and was not associated with ALT elevation when compared to uninfected blood donors. Using univariate analysis, GBV-C/HGV RNA was significantly associated with > or =20 haemodialysis sessions. TTV DNA occurrence was not associated with any risk factors. CONCLUSIONS: There is a high occurrence of GBV-C/HGV and TTV in this select group of renal transplant recipients in India. These viruses mostly occurred in the context of co-infections with other hepatitis viruses. Long term effects of multiple hepatotropic viral infections need to be carefully documented in such transplant populations.

The effect of mechanistic pathway on activity in the Pd and Pt catalysed methoxycarbonylation of ethene.

All the intermediates involved in the platinum catalysed methoxycarbonylation of ethene have been characterised by in situ NMR; the low activity of platinum catalysts in this reaction is shown to be due to trapping of the active intermediates by carbon monoxide at every step in the catalytic cycle and to the ready reversibility of the product forming reactions.

The synthesis of, and characterization of the dynamic processes occurring in Pd(II) chelate complexes of 2-pyridyldiphenylphosphine.

Pd(II) complexes in which 2-pyridyldiphenylphosphine (Ph(2)Ppy) chelates the Pd(II) centre have been prepared and characterized by multinuclear NMR spectroscopy and by X-ray crystallographic analysis. trans-[Pd(kappa(1)-Ph(2)Ppy)(2)Cl(2)] is transformed into [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)Cl]Cl by the addition of a few drops of methanol to dichloromethane solutions, and into [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)Cl]X by addition of AgX or TlX, (X = BF(4)(-), CF(3)SO(3)(-) or MeSO(3)(-)). [Pd(kappa(1)-Ph(2)Ppy)(2)(p-benzoquinone)] can be transformed into [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)(MeSO(3))][MeSO(3)] by the addition of two equivalents of MeSO(3)H. Addition of further MeSO(3)H affords [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)PpyH)(MeSO(3))][MeSO(3)](2). Addition of two equivalents of CF(3)SO(3)H, MeSO(3)H or CF(3)CO(2)H and two equivalents of Ph(2)Ppy to [Pd(OAc)(2)] in CH(2)Cl(2) or CH(2)Cl(2)-MeOH affords [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)X]X, (X = CF(3)SO(3)(-), MeSO(3)(-) or CF(3)CO(2)(-)), however addition of two equivalents of HBF(4).Et(2)O affords a different complex, tentatively formulated as [Pd(kappa(2)-Ph(2)Ppy)(2)]X(2). Addition of excess acid results in the clean formation of [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)PpyH)(X)]X(2). In methanol, addition of MeSO(3)H and three equivalents of Ph(2)Ppy to [Pd(OAc)(2)] affords [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)(2)][MeSO(3)](2) as the principal Pd-phosphine complex. The fluxional processes occuring in these complexes and in [Pd (kappa(1)-Ph(2)Ppy)(3)Cl]X, (X = Cl, OTf) and the potential for hemilability of the Ph(2)Ppy ligand has been investigated by variable-temperature NMR. The activation entropy and enthalpy for the regiospecific fluxional processes occuring in [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)(2)][MeSO(3)](2) have been determined and are in the range -10 to -30 J mol(-1) K(-1) and ca. 30 kJ mol(-1) respectively, consistent with associative pathways being followed. The observed regioselectivities of the exchanges are attributed to the constraints imposed by microscopic reversibility and the small bite angle of the Ph(2)Ppy ligand. X-Ray crystal structure determinations of trans-[Pd(kappa(1)-Ph(2)Ppy)(2)Cl(2)], [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)Cl][BF(4)], [Pd(kappa(1)-Ph(2)Ppy)(2)(p-benzoquinone)], trans-[Pd(kappa(1)-Ph(2)PpyH)(2)Cl(2)][MeSO(3)](2), and [Pd(kappa(1)-Ph(2)Ppy)(3)Cl](Cl) are reported. In [Pd(kappa(2)-Ph(2)Ppy)(kappa(1)-Ph(2)Ppy)Cl][BF(4)] a donor-acceptor interaction is seen between the pyridyl-N of the monodentate Ph(2)Ppy ligand and the phosphorus of the chelating Ph(2)Ppy resulting in a trigonal bipyramidal geometry at this phosphorus.

Multinuclear NMR studies of the products resulting from the reaction of pyridine or 2,2'-bipyridine with [Rh4(CO)12].

The progressive addition of anhydrous pyridine, (py), to a solution of [Rh(4)(CO)(12)] in CH(2)Cl(2) under CO, even at low temperature, results in immediate disproportionation to give cis-[Rh(CO)(2)py(2)][Rh(5)(CO)(15)]; further addition of pyridine results in the progressive replacement of CO's by py on the same apical rhodium in [Rh(5)(CO)(15)](-) to give cis-[Rh(CO)(2)py(2)][Rh(5)(CO)(15-x)py(x)] (x = 1, 2). The analogous reactions with 2,2'-bipyridine (bipy) give only [Rh(CO)(2)bipy][Rh(5)(CO)(13)bipy]. IR and low temperature, multinuclear NMR measurements have been used to establish the structures of all the above anions and the structures of [Rh(5)(CO)(13)(bipy)](-) and [Rh(5)(CO)(13)py(2)](-) are subtly different. Under N(2), [Rh(4)(CO)(12)] reacts with py to give [Rh(6)(CO)(16-y)py(y)] (y = 1, 2).