Natural Hybrid Research Articles

The role of natural hybrid nanobentonite/nanocellulose in enhancing the water resistance properties of the biodegradable thermoplastic starch

Abstract This study focuses on investigating the effect of hybrid nanofillers on the hydration characteristics and soil biodegradability of the thermoplastic corn starch (TPCS) hybrid nanofiller biocomposite (TPCS-HB) films. The data were benchmarked with that of the pure TPCS and TPCS single nanofiller biocomposite (TPCS-SB) as control films. The water absorption properties of TPCS, TPCS-SB, and TPCS-HB films were analyzed and fitted with the standard Guggenheim–Anderson–de Boer equation to study the water activity of the films. Besides, the water permeability test, water vapor permeability, and soil biodegradability of the films were also studied and correlated with the films’ surface morphology. The results indicated that the TPCS-HB films possess excellent hydration resistance and comparable biodegradable rate with the TPCS-SB films. The optimal water resistance properties were achieved when the optimal ratio of nanobentonite/nanocellulose (4:1) was incorporated into the TPCS matrix. The outcomes of this study provide an innovative idea and new insights that, by using natural and hybrid nanofillers, the hydrophobicity of the TPCS films could be enhanced. TPCS-HB films show great potential to be developed into a fully green biodegradable TPCS biocomposite film, especially for single-use plastic applications.

Natural Commutation Type Hybrid DC Circuit Breaker Based on Hybrid Mechanical Gaps

Natural Commutation Type Hybrid DC Circuit Breaker Based on Hybrid Mechanical Gaps

Understanding brain functional architecture through robotics.

Robotics is increasingly seen as a useful test bed for computational models of the brain functional architecture underlying animal behavior. We provide an overview of past and current work, focusing on probabilistic and dynamical models, including approaches premised on the free energy principle, situating this endeavor in relation to evidence that the brain constitutes a layered control system. We argue that future neurorobotic models should integrate multiple neurobiological constraints and be hybrid in nature.

Genomic analyses indicate two blue swimmer crab species in Australia, evidence for natural interspecific hybridization and genetic structure within species with implications for fisheries management and stock enhancement

Blue swimmer crab species are widely distributed in Indian and west Pacific Oceans including the coastline around Australia and have been identified as potential candidates for stock enhancement. A recent taxonomic review revealed the presence of two blue swimmer crab species in Australia, namely Portunus armatus which is found around most of the Australian coastline, and Portunus pelagicus which is found in the northern coast where it is sympatric with P. armatus. It is important to understand population structure and genetic diversity of Portunus spp. to efficiently manage stocks. In the present study we investigated species classification and population structure of Portunus spp. in Australia using full and partial genomic information, namely mitochondrial COX1 gene sequences derived from whole genome sequencing and single nucleotide polymorphic (SNP) markers developed from partial genome sequencing. Blue swimmer crab samples were collected from the western (n = 52), northern (n = 17) and eastern (n = 110) coasts of Australia. Genetic diversity and population genetic structure were assessed for within and between region variation. Our genomic results indicated the presence of two blue swimmer crab species in Australia. One, namely, P. pelagicus was found only in Northern Territory (Darwin), and other, namely P. armatus was found around Australia. There was evidence of natural hybridisation between two species in Northern Territory (Darwin) where they were sympatric. P. armatus populations from the western, northern and eastern regions were genetically different although there were no significant genetic differences observed between the Queensland and New South Wales populations nor between the two neighbouring populations in Western Australia. Results found in the present study supports the view that the P. armatus populations in western, northern and eastern regions of Australia should be treated as at least three different stocks. A lack of genetic structuring along the eastern coast suggests blue swimmer crabs can be considered as a single stock along the sampled range at least in relation to fisheries enhancement, release programs and broodstock management.

Translocation precipitates natural hybridisation and pervasive introgression between marine gastropods with divergent developmental modes

Assisted colonisation, the introduction of species beyond their historical range, is increasingly necessary for conserving species. However, empirical evidence of the long-term genetic outcomes of assisted colonisation is grossly lacking. A risk associated with moving species beyond their native range is the possibility of interspecific hybridisation with a closely related species, potentially resulting in outbreeding depression or the genetic swamping of a parental species. Here, we use a combination of genome-wide Single Nucleotide Polymorphism (SNP) markers and mitochondrial DNA sequencing to determine the long-term genetic consequences of introducing the intertidal periwinkle Bembicium vittatum (a direct developer) beyond its native range and into the native range of its congener Bembicium auratum (a species with planktotrophic larval dispersal). We found novel evidence of natural, multigenerational hybridisation between marine invertebrates with different modes of development. Intriguingly, introgression was highly asymmetrical initially, but became more evenly bidirectional as the population became more admixed. There was a significant decline in the frequency of alleles from the introduced B. vittatum over time, providing evidence of genetic swamping. The present study also provides potential evidence of outbreeding depression, in the form of cytonuclear incompatibilities, leading to the observed pattern of asymmetrical introgression. This study reveals the potential for unexpected mixing between species when reproductive barriers are not well understood, resulting in failure of pure B. vittatum to persist at the translocation site, a major concern associated with assisted colonisation. Without long-term genetic monitoring interspecific hybridisation between B. vittatum and B. auratum would have gone undetected, highlighting the importance of long-term monitoring to detect unintentional negative consequences of conservation translocations. Successful assisted colonisation requires an understanding of the potential for interspecific hybridisation between the threatened species and closely related native species, to reduce the risk of adverse outcomes.

Evidence of a Natural Hybrid Oomycete Isolated from Ornamental Nursery Stock

The oomycete genus Phytophthora includes many plant pathogens important in agricultural and environmental systems. Natural interspecific hybridization has been reported several times in Phytophthora, and although the fundamental processes of interspecific hybridization and the consequences of subsequent ecological distribution are poorly understood, reports suggest some hybrids can infect a broader host range and display enhanced virulence compared to the putative parental species. During a survey carried out at the University of Aberdeen in 2014–2015, of oomycetes present in ornamental plants purchased via the internet, a batch of oomycete isolates remained unidentified, showing, in some isolates, features generally related to hybridization. The aim of this study was to determine whether hybridization events had occurred between endemic and introduced oomycetes, probably/possibly facilitated through the international plant trade. The list of isolates examined included a putative hybrid closely related to Phytophthora cryptogea. The putative hybrid isolate was further characterized, and pathogenicity were tests carried out on Eucalyptus globulus, using an isolate of P. cryptogea as a positive control. Cloning of ITS, COXI and β-tubulin genes resulted in different sequence versions of the putative hybrid isolate; after mapping and a polymorphism position comparison, it was concluded that the studied isolate contained genetic information from P. cryptogea, P. erythroseptica, P. kelmanii, P. sansomeana and Phytopythium chamaehyphon. A PCR-RFLP assay, a NEBcutter analysis and flow cytometry analysis (genomes ranged between 0.168 to 0.269 pg/2C) added further evidence of the hybrid nature of this isolate. The putative hybrid presented complex growing patterns ranging from rosaceous to chrysanthemum-like and had an optimum growth temperature of 25 °C. Although the putative hybrid produced visible symptoms of disease on E. globulus seedlings, assessment of the relative susceptibility of E. globulus to P. cryptogea and the putative hybrid indicated that P. cryptogea was significantly more virulent than the putative hybrid, based on mortality, disease severity and foliar symptoms.

Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studies

Several studies have linked Cancer stem cells (CSCs) to cancer resistance development to chemotherapy and radiotherapy. ALDH1A1 is a key enzyme that regulates the gene expression of CSCs and creates an immunosuppressive tumor microenvironment. It was reported that quercetin and resveratrol were among the inhibitors of ALDH1A1. In early 2022, it was reported that new 11 flavonostilbenes (rhamnoneuronal D–N) were isolated from Rhamnoneuron balansae as potential antiaging natural products. Rhamnoneuronal H (5) could be envisioned as a natural hybrid of quercetin and resveratrol. It was therefore hypothesized that 5 and its analogous isolates rhamnoneuronal D–G (1–4) and rhamnoneuronal I–N (6–11) would have potential ALDH1A1 inhibitory activity. To this end, all isolates were subjected to molecular docking, MM-GBSA, ADMET, and molecular dynamics simulations studies to assess their potential as new leads for cancer treatment targeting ALDH1A1. In silico findings revealed that natural hybrid 5 has a similar binding affinity, judged by MM-GBSA, to the ALDH1A1 active site when compared to the co-crystalized ligand (−64.71 kcal/mole and −64.12 kcal/mole, respectively). Despite having lesser affinity than that of the co-crystalized ligand, the rest of the flavonostilbenes, except 2–4, displayed better binding affinities (−37.55 kcal/mole to −58.6 kcal/mole) in comparison to either resveratrol (−34.44 kcal/mole) or quercetin (−36.48 kcal/mole). Molecular dynamic simulations showed that the natural hybrids 1, 5–11 are of satisfactory stability up to 100 ns. ADMET outcomes indicate that these hybrids displayed acceptable properties and hence could represent an ideal starting point for the development of potent ALDH1A1 inhibitors for cancer treatment. Communicated by Ramaswamy H. Sarma

Semipermeable species boundaries create opportunities for gene flow and adaptive potential.

Hybridisation and gene flow can have both deleterious and adaptive consequences for natural populations and species. To better understand the extent of hybridisation in nature and the balance between its beneficial and deleterious outcomes in a changing environment, information on naturally hybridising nonmodel organisms is needed. This requires the characterisation of the structure and extent of natural hybrid zones. Here, we study natural populations of five keystone mound-building wood ant species in the Formica rufa group across Finland. No genomic studies across the species group exist, and the extent of hybridisation and genomic differentiation in sympatry is unknown. Combining genome-wide and morphological data, we demonstrate more extensive hybridisation than was previously detected between all five species in Finland. Specifically, we reveal a mosaic hybrid zone between Formica aquilonia, F. rufa and F. polyctena, comprising further generation hybrid populations. Despite this, we find that F. rufa, F. aquilonia, F. lugubris and F. pratensis form distinct gene pools in Finland. We also find that hybrids occupy warmer microhabitats than the nonadmixed populations of cold-adapted F. aquilonia, and suggest that warm winters and springs, in particular, may benefit hybrids over F. aquilonia, the most abundant F. rufa group species in Finland. In summary, our results indicate that extensive hybridisation may create adaptive potential that could promote wood ant persistence in a changing climate. Additionally, they highlight the potentially significant ecological and evolutionary consequences of extensive mosaic hybrid zones, within which independent hybrid populations face an array of ecological and intrinsic selection pressures.

Amentotaxus×hybridia (Taxaceae), a new natural Amentotaxus hybrid from southeast Yunnan province, China.

During floristic surveys of Taxaceae in Hekou County, Yunnan Province, China, a putative natural hybrid between A.yunnanensis H.L. Li and A.hekouensis L.M. Gao was collected. Morphological and molecular evidence confirms its status as a natural hybrid. Amentotaxus×hybridia L.M. Gao has linear or linear-lanceolate leaves 6-13 cm × 1.0-1.5 cm, white stomatal bands with 34-40 rows on abaxial side, 2.5-3.5 mm, slightly wider than leaf margins; 3-6 seeds borne at the base of the branchlet, peduncle 1.3-1.6 cm long with 3-4 rows of persistent basal bracts.

A community genomics approach to natural hybridization.

Hybridization is a complicated, oft-misunderstood process. Once deemed unnatural and uncommon, hybridization is now recognized as ubiquitous among species. But hybridization rates within and among communities are poorly understood despite the relevance to ecology, evolution and conservation. To clarify, we examined hybridization across 75 freshwater fish communities within the Ozarks of the North American Interior Highlands (USA) by single nucleotide polymorphism (SNP) genotyping 33 species (N = 2865 individuals; double-digest restriction site-associated DNA sequencing (ddRAD)). We found evidence of hybridization (70 putative hybrids; 2.4% of individuals) among 18 species-pairs involving 73% (24/33) of study species, with the majority being concentrated within one family (Leuciscidae/minnows; 15 species; 66 hybrids). Interspecific genetic exchange-or introgression-was evident from 24 backcrossed individuals (10/18 species-pairs). Hybrids occurred within 42 of 75 communities (56%). Four selected environmental variables (species richness, protected area extent, precipitation (May and annually)) exhibited 73-78% accuracy in predicting hybrid occurrence via random forest classification. Our community-level assessment identified hybridization as spatially widespread and environmentally dependent (albeit predominantly within one diverse, omnipresent family). Our approach provides a more holistic survey of natural hybridization by testing a wide range of species-pairs, thus contrasting with more conventional evaluations.

UTILIZATION OF CDDP MARKERS IN ANALYSIS OF GENETIC VARIABILITY OF ARACHIS HYPOGAEA L.

Arachis hypogaea L. – peanut (syn. groundnut) belong botanically to annual herbs, more specifically to legumes (family Fabaceae). Cultivated from is characterized as allotetraploid specie and that has a large and genome with high level of complexity as a result of natural hybridization of wild diploid species Arachis cardenasii (nn) and Arachis batizocoi. Individual analysis that are aimed to description of the genetic similarity and variability of wild and cultivated Arachis species are substantial for the knowledge of intaspecific relationships. In this study, conserved DNA-derived polymorphism technique was used to analyse genetic variability of natural genotypes of peanut. CDDP is a simple PCR based method that was proved to be efficient in the studies of plant populations polymorphism. Primers used in CDDP target conserved sequences of plant functional genes that are involved in response to abiotic and biotic stresses. Here, bulked DNA samples of twenty-one natural populations were analysed by with five CDDP primer combinations. Selected primers produced a total of 260 amplicons, among which 107 (41.2%) amplicons were polymorphic. The average number of obtained amplicons per primer was about 51.8. Amplified polymorphic fragments of analysed genotypes ranged from 13 to 33 and percentage of polymorphism ranged from 35 % to 47 %. UPGMA cluster analysis was performed on the base of prepared binary matrices and obtained clustering has grouped the analyzed peanut populations into five major groups with further subgroups. The results of CCDP fingerprinting shown, that this marker technique provide sufficient distinguishing of a wild population of Arachis hypogaea L.. Analysed genotypes of peanut were separated into different groups based on genetic diversity, however, the level of polymorphisms that detected used markers among populations of Arachis hypogaea L. was low.

Extrachromosomal circular DNA-mediated spread of herbicide resistance in interspecific hybrids of pigweed.

Extrachromosomal circular DNAs (eccDNAs) are found in many eukaryotic organisms. EccDNA-powered copy number variation plays diverse roles, from oncogenesis in humans to herbicide resistance in crop weeds. Here, we report interspecific eccDNA flow and its dynamic behavior in soma cells of natural populations and F1 hybrids of Amaranthus sp. The glyphosate-resistance (GR) trait is controlled by eccDNA-based amplification harboring the 5-enolpyruvylshikimate-3-phosphate synthase (EPSPS) gene (eccDNA replicon), the molecular target of glyphosate. We documented pollen-mediated transfer of eccDNA in experimental hybrids between glyphosate-susceptible Amaranthus tuberculatus and GR Amaranthus palmeri. Experimental hybridization and fluorescence in situ hybridization (FISH) analysis revealed that the eccDNA replicon in Amaranthus spinosus derived from GR A. palmeri by natural hybridization. FISH analysis also revealed random chromosome anchoring and massive eccDNA replicon copy number variation in soma cells of weedy hybrids. The results suggest that eccDNAs are inheritable across compatible species, contributing to genome plasticity and rapid adaptive evolution.

Evolution of loss of heterozygosity patterns in hybrid genomes of Candida yeast pathogens

BackgroundHybrids are chimeric organisms with highly plastic heterozygous genomes that may confer unique traits enabling the adaptation to new environments. However, most evolutionary theory frameworks predict that the high levels of genetic heterozygosity present in hybrids from divergent parents are likely to result in numerous deleterious epistatic interactions. Under this scenario, selection is expected to favor recombination events resulting in loss of heterozygosity (LOH) affecting genes involved in such negative interactions. Nevertheless, it is so far unknown whether this phenomenon actually drives genomic evolution in natural populations of hybrids. To determine the balance between selection and drift in the evolution of LOH patterns in natural yeast hybrids, we analyzed the genomic sequences from fifty-five hybrid strains of the pathogenic yeasts Candida orthopsilosis and Candida metapsilosis, which derived from at least six distinct natural hybridization events.ResultsWe found that, although LOH patterns in independent hybrid clades share some level of convergence that would not be expected from random occurrence, there is an apparent lack of strong functional selection. Moreover, while mitosis is associated with a limited number of inter-homeologous chromosome recombinations in these genomes, induced DNA breaks seem to increase the LOH rate. We also found that LOH does not accumulate linearly with time in these hybrids. Furthermore, some C. orthopsilosis hybrids present LOH patterns compatible with footprints of meiotic recombination. These meiotic-like patterns are at odds with a lack of evidence of sexual recombination and with our inability to experimentally induce sporulation in these hybrids.ConclusionsOur results suggest that genetic drift is the prevailing force shaping LOH patterns in these hybrid genomes. Moreover, the observed LOH patterns suggest that these are likely not the result of continuous accumulation of sporadic events—as expected by mitotic repair of rare chromosomal breaks—but rather of acute episodes involving many LOH events in a short period of time.

Multi-Objective Optimization Model for Uncertainty Consideration of RESs & Load Demands with the Optimal Design of Hybrid CCHP by DDAO-RBFNN Strategy

This manuscript proposes a hybrid system for an integrated solar and natural gas hybrid model with photovoltaic/thermal (PV/T) collectors and gas turbines (GT). The proposed optimization method combines both Dynamic Differential Annealed Optimizations (DDAO) and Radial Basis Function Neural Network (RBFNN), so it is called the DDAO-RBFNN approach. Natural gas, solar energy, coal, and geothermal energy are the sources of the system, while electricity, cooling, and heating are the energy needs of the system. A multi-objective stochastic model incorporates load and renewable energy uncertainty to obtain more efficient, economic, and environmental decisions. By utilizing an existing data set, the proposed approach is to forecast a new set. Some characteristics, such as historical weather data, building loads, and market information are required for modelling the energy hub and unpredictable factors. The proposed RBFNN method is used to model the energy hub through data collection, analysis, and initial sampling of uncertainty factors. To provide optimal outcomes with great computational time, the accuracy of DDAO approach is used. Smart operation managements consider both the energy supply and demand sides to achieve optimal state functioning of the hybrid CCHP scheme. Finally, the proposed system is performed in MATLAB/Simulink site and the performance of the proposed method is compared with existing methods.

Taxonomic Assessment of the Karyological Characteristics of Sable (<i>Martes zibellina</i>) and Other Representatives of the Ginus <i>Martes</i> (Carnivora, Mammalia)

A revision of the original description of the karyotype of the sable Martes zibellina was carried out, data on the mitotic metaphase chromosomes of the female and male of this species and a comparison of their sets with those of closely related species of the genus Martes are presented. We also provide a description of the synaptonemal complex (SC) in the early – middle prophase of meiosis in sable spermatocytes. Comparative analysis confirmed the stability and similarity of the main cytogenetic parameters of sables and martens (2n = 38, NFa = 64–68, X is the average submetacentric, and Y is the smallest meta,-submeta,- or acrocentric). A small polymorphism associated with the representation of one- or two-armed smallest elements of the diploid set of chromosomes was revealed. These features are of little use for the development of intraspecific taxonomy of sable, but can be used to reveal phylogenetic relationships at the species and generic levels, as well as to identify the consequences of natural hybridization of closely related species of the genus Martes.

A review on mechanical properties of hybrid polymer composites

The purpose of the present work is to evaluate research work on fiber-reinforced hybrid composites that have exceptional mechanical properties. Polymers are replacing metal materials as a solution to issues including corrosion, weight, flexibility, and other issues. Hybrid polymers provide the extra benefit of improving mechanical qualities like tensile, impact, and flexural. Nanocomposites, bio nanocomposites, and biopolymers were offered for each form of hybrid composite, along with thermoplastic and thermoset polymers. Through the examined studies, composites are frequently reinforced with fibres for improved mechanical properties. The experimental findings showed that natural fibre stacking patterns had an impact on the mechanical characteristics of natural hybrid composites. Nearly all hybridization of various reinforcing fibres showed synergistic impacts on the mechanical characteristics of the hybrid composite. The finer mechanical characteristics of hybrid polymers supplemented with nanoparticles, however, can be viewed as a favourable property trait. Due to the hybrid composite material's constituent polymers maintaining their separate identities, it exhibits substantial physical and chemical properties in addition to those of the individual polymers.

Sequence capture: Obsolete or irreplaceable? A thorough validation across phylogenetic distances and its applicability to hybrids and allopolyploids.

As whole-genome sequencing has become pervasive, some have suggested that reduced genomic representation approaches, for example, sequence capture, are becoming obsolete. In the present study, we argue that these techniques still provide excellent tools in terms of price and quality of data as well as in their ability to provide markers with specific features, as required, for example, in phylogenomics. A potential drawback of the wide-scale application of reduced representation approaches could be their drop in efficiency with increasing phylogenetic distance from the reference species. While some studies have focused on the degree and performance of reduced representation techniques in such situations, to our knowledge, none of them evaluated their applicability to inter-specific hybrids and polyploids. This highlights a significant gap in current knowledge since there is increasing evidence for the frequent occurrence of natural hybrids and polyploids, as well as for the major importance of both phenomena in evolution. The main aim of the present study was to carry out a thorough validation of SEQcap applicability to (1) a set of non-model taxa with a wide range of phylogenetic relatedness and (2) inter-specific hybrids of various ploidies and genomic compositions. Considering the latter point, we especially focused on mechanisms causing allelic bias and consequent allelic dropout, as these could have confounding effects with respect to the evolutionary genomic dynamics of hybrids, especially in asexuals, which virtually reproduce as a frozen F1 generation.

Catasetum × grasineideae (Orchidaceae: Catasetinae), a new nothospecies from Brazilian Amazon and taxonomic notes for the genus

Hybridization is a process that can occur randomly in nature between different genetically compatible species, as is observed within the genus Catasetum. Thus, this work proposes the description of a new nothospecies found in the lake of Castanho located in the municipality of Careiro Castanho. It is described, illustrated and compared with its parental species: C. gnomus and C. saccatum. In addition, information regarding the distribution, habitat and phenology as well as a key to the natural hybrids occurring in the Brazilian state of Amazonas are presented. Taxonomic notes are presented for five taxa of the genus currently treated as species that, after performing controlled pollination and germination in vitro, have proven to be in reality natural hybrids. Finally, we propose to place C. sanguineum into the synonymy of C. naso.

A novel SNP panel developed for targeted genotyping-by-sequencing (GBS) reveals genetic diversity and population structure of Musa spp. germplasm collection

The Philippines is situated in the geographic region regarded as the center of diversity of banana and its wild relatives (Musa spp.). It holds the most extensive collection of B-genome germplasm in the world along with A-genome groups and several natural hybrids with A- and B-genome combinations. Management of this germplasm resource has relied immensely on identification using local names and morphological characters, and the extent of genetic diversity of the collection has not been achieved with molecular markers. A high-throughput and reliable genotyping method for banana and its relatives will facilitate germplasm management and support breeding initiatives toward a marker-based approach. Here, we developed a 1K SNP genotyping panel based on filtering of high-quality genome-wide SNPs from the Musa Germplasm Information System and used it to assess the genetic diversity and population structure of 183 accessions from a Musa spp. germplasm collection containing Philippine and foreign accessions. Targeted GBS using SeqSNP™ technology generated 70,376,284 next-generation sequencing (NGS) reads with an average effective target SNP coverage of 340 × . Bioinformatics pipeline revealed 971 polymorphic SNPs containing 76.9% homozygous calls, 23.1% heterozygous calls and 4% with missing data. A final set of 952 SNPs detected 2,092 alleles. Pairwise genetic distance varied from 0.0021 to 0.3325 with most pairs of accessions distinguished with 250 to 300 loci. The SNP panel was able to detect seven (k = 7) genetically differentiated groups and its composition through Principal Component Analysis (PCA) with k-means clustering algorithm and Discriminant Analysis of Principal Components (DAPC). Accession-specific SNPs were also identified. The 1K SNP panel effectively distinguishes between genomic groups and provides relatively good resolution of genome-wide nucleotide diversity of Musa spp. This panel is recommended for low-density genotyping for application in marker-assisted breeding and germplasm management, and could be further enhanced to increase marker density for other applications like genetic association and genomic selection in bananas.

Density functional analysis of molecular crystal: bis-l-Phenyl alanine mandelate

A novel organic nonlinear four component molecular crystal bis-l-phenylalanine mandelate (BLPAMA) has been synthesized and single crystal has been grown by slow evaporation method in an aqueous solution at ambient temperature. The characterization studies support the formation of the neutral novel organic molecular crystal containing 68 atoms in a molecule. The experimental and theoretical density functional analysis (DFT) have been compared for the vibrational changes, dipolar interactions, 1H and 13C NMR values, UV-Vis absorption pattern, HOMO-LUMO interactions, hyperconjugation effects, Natural Bond Orbital (NBO) and Natural Hybridisation Orbital (NHO) analysis. The molecular structure obtained from the solid state experimental data using ORTEP diagram has been compared with the gaseous state optimized stucture obtained from DFT data using Gaussian 98 software with MO6-31++(d,p) basis set. The DFT study of the title compound has confirmed the crystal formation through charge transfer mechanism, hydrogen bonding interactions and van der Waals forces of attraction. The stress and strain in the title compound leads to the low energy gap nonlinear molecular sheet formation. The title compound shows electrochemical activity due to the highly reactive and relatively unstable structure.