Draft hybrid genome sequence of phytopathogen strain MS-2, isolated from cacao in Ghana.

Here, we report a hybrid genome of strain MS-2, a cacao thread blight disease causing isolate that was collected from cacao leaves in Tafo, Eastern region, Ghana. The final assembly consists of 2,083 contigs spanning 69,843,039 bp, with 49.21% GC content, 92.

Three de novo assembled wild cacao genomes from the Upper Amazon.

Theobroma cacao, the chocolate tree, is indigenous to the Amazon basin, the greatest biodiversity hotspot on earth. Recent advancement in plant genomics highlights the importance of de novo sequencing of multiple reference genomes to capture the genome diversity present in different cacao populations. In this study, three high-quality chromosome-level genomes of wild cacao were constructed, de novo assembled with HiFi long reads sequencing, and scaffolded using a reference-free strategy.

Cacao pod transcriptome profiling of seven genotypes identifies features associated with post-penetration resistance to Phytophthora palmivora.

The oomycete Phytophthora palmivora infects the fruit of cacao trees (Theobroma cacao) causing black pod rot and reducing yields. Cacao genotypes vary in their resistance levels to P. palmivora, yet our understanding of how cacao fruit respond to the pathogen at the molecular level during disease establishment is limited.

Temperature dependent molecular dynamics simulation study to understand the stabilizing effect of NADES on the protein β-Lactoglobulin.

The thermal stability of a protein is an important concern for its practical application in food processing industries. In this study, we have carried out classical molecular dynamics simulations to systematically investigate the effect of NADES (natural deep eutectic solvent) on the stabilization of the protein β-Lactoglobulin (BLG) at different temperatures. This study sheds light on the very aspects of NADES composed of betaine and sorbitol on the stability of the protein.

Clonal reproduction of Moniliophthora roreri and the emergence of unique lineages with distinct genomes during range expansion.

The basidiomycete Moniliophthora roreri causes frosty pod rot of cacao (Theobroma cacao) in the western hemisphere. Moniliophthora roreri is considered asexual and haploid throughout its hemibiotrophic life cycle. To understand the processes driving genome modification, using long-read sequencing technology, we sequenced and assembled 5 high-quality M.

Alpha glucosidase inhibitory properties of a few bioactive compounds isolated from black rice bran: combined and evidence supporting the antidiabetic effect of black rice.

In view of the recent reports of the antidiabetic effect of the black rice bran extract, an attempt has been made in the present work to evaluate the potential α-glucosidase inhibitory activity of a few selected bioactive compounds present in the pericarp of the black rice. Out of the six bioactive compounds from black rice bran selected for the study, two compounds cyanidin-3-glucoside and 6'--feruloylsucrose were identified as novel and highly potent α-glucosidase inhibitors their and screenings. The enzyme inhibition assay was corroborated by molecular docking and molecular dynamics simulation studies.

Insights into the Interaction between Polyphenols and β-Lactoglobulin through Molecular Docking, MD Simulation, and QM/MM Approaches.

In this work, we have explored the interaction of three different polyphenols with the food protein β-lactoglobulin. Antioxidant activities of polyphenols are influenced by complexation with the protein. However, studies have shown that polyphenols after complexation with the protein can be more beneficial due to enhanced antioxidant activities.

σ-Aromaticity in planar pentacoordinate aluminium and gallium clusters.

Planar hypercoordinate structures are gaining immense attention due to the shift from common paradigm. Herein, our high level ab initio calculations predict that planar pentacoordinate aluminium and gallium centres in CuAl and CuGa clusters are global minima in their singlet ground states. These clusters are thermodynamically and kinetically very stable.

Changes in Gene Expression in Leaves of Cacao Genotypes Resistant and Susceptible to Infection.

Black pod rot, caused by , is a devastating disease of L. (cacao) leading to huge losses for farmers and limiting chocolate industry supplies. To understand resistance responses of cacao leaves to , Stage 2 leaves of genotypes Imperial College Selection 1 (ICS1), Colección Castro Naranjal 51 (CCN51), and Pound7 were inoculated with zoospores and monitored for symptoms up to 48 h.

Planar Pentacoordinate Zinc Group Elements Stabilized by Multicentric Bonds.

Planar pentacoordinate zinc group elements, (M = Zn, Cd, Hg) were computationally found to be at a global minimum in LiM clusters. The stability of these clusters is due to the presence of multicentric bonds. The central element (Zn, Cd, Hg) in each cluster features a negative oxidation state owing to the in-plane electron donation by the Li framework.

Binding interaction of a potential statin with β-lactoglobulin: An in silico approach.

This article reports the interaction between a synthetic statin, fluvastatin with bovine milk protein, β-lactoglobulin (BLG) through docking, constant pH molecular dynamics simulation (cpHMD) and binding free energy calculations. Docking provides the best fitted binding mode of the ligand with the receptor. We have carried out MD simulations of the protein and protein-ligand complex at two different pH viz.

Boron-boron quadruple bond in LiB and LiB clusters.

Homopolar quadruple bonding in first row p-block elements is expected due to the presence of four valence orbitals accessible for bonding. Although quadruple bonding in C has been proposed, no such proposal exists for B. Here we report the unprecedented B-B quadruple bonding in LiB and LiB clusters based on high level theoretical calculations.

Is a transition metal-silicon quadruple bond viable?

Quadruple bonding in heavier main group elements is not known albeit having four valence orbitals accessible for bonding. Here we report the unprecedented quadruple bonding between a silicon atom and a transition metal fragment in the 1A1 electronic ground state of C3v symmetric SiRu(CO)3 based on high level theoretical calculations. Various bonding analyses reveal the nature of the Si[quadruple bond, length as m-dash]Ru quadruple bonding interaction, which involves one usual Si-Ru σ bond, two usual Si-Ru π bonds and one additional Si → Ru dative σ bond.

Unsupported Donor-Acceptor Complexes of Noble Gases with Group 13 Elements.

Unsupported donor-acceptor complexes of noble gases (Ng) with group 13 elements have been theoretically studied using density functional theory. Calculations reveal that heavier noble gases form thermodynamically stable compounds. The present study reveals that no rigid framework is necessary to stabilize the donor-acceptor complexes.

Bruchid beetle ovipositioning mediated defense responses in black gram pods.

Background: Black gram [Vigna mungo (L)] seeds are a rich source of digestible protein and dietary fibre, both for human and animal consumption. However, the quality and quantity of the Vigna seeds are severely affected by bruchid beetles during storage. Therefore, analyses of the expression of the bruchid induced transcript dynamics in black gram pods would be helpful to understand the underlying defense mechanism against bruchid oviposition.

Planar Pentacoordinate Nitrogen in a Pseudo-Double-Aromatic NBeH Cluster.

High-level quantum-chemical calculations have been used to predict a cationic ternary NBeH cluster containing a planar pentacoordinate nitrogen atom. The proposed cluster has pseudo dual aromaticity and is kinetically and thermodynamically very stable.

Dissecting the Role of Promoters of Pathogen-sensitive Genes in Plant Defense.

Plants inherently show resistance to pathogen attack but are susceptible to multiple bacteria, viruses, fungi, and phytoplasmas. Diseases as a result of such infection leads to the deterioration of crop yield. Several pathogen-sensitive gene activities, promoters of such genes, associated transcription factors, and promoter elements responsible for crosstalk between the defense signaling pathways are involved in plant resistance towards a pathogen.

Structural and functional changes of the protein β-lactoglobulin under thermal and electrical processing conditions.

In the present study we have tried to explore the effect of static external electric field of strength 3.0 V/nm on the conformational changes adopted by the protein β-lactoglobulin. We have chosen different temperatures viz.

Transcript profiling of chickpea pod wall revealed the expression of floral homeotic gene AGAMOUS-like X2 (CaAGLX2).

The differentially expressed genes in the chickpea pod wall have been identified for the first time using a forward suppression subtractive hybridization (SSH) library. In all, 226 clones of SSH library were sequenced and analyzed. A total of 179 high-quality expressed sequence tags (ESTs) were generated and based on the CAP3 assembly of these ESTs, 126 genes (97 singletons and 29 contigs) were computationally annotated.

Bruchid egg induced transcript dynamics in developing seeds of black gram (Vigna mungo).

Black gram (Vigna mungo) seeds are a rich source of digestible proteins, however, during storage these seeds are severely damaged by bruchids (Callosobruchus spp.), reducing seed quality and yield losses. Most of the cultivated genotypes of black gram are susceptible to bruchids, however, few tolerant genotypes have also been identified but the mechanism of tolerance is poorly understood.