Publications by authors named "Tripathy V"

Article Synopsis
  • Accurate simulation of electronic excited states in large chromophores is challenging due to the limitations of existing methods, necessitating specialized techniques like Δ-SCF.
  • The study utilizes the initial maximum overlap method (IMOM) to effectively simulate emission energies of numerous dye molecules, achieving high accuracy in predicting emission maxima with a mean absolute error of only 0.27 eV.
  • Spin corrections and linear fit-based adjustments further enhance predictive accuracy, allowing for better classification of dye types and understanding of the method's limitations in complex chemical spaces.
View Article and Find Full Text PDF

The Northeastern region of India is considered a gateway for modern humans' dispersal throughout Asia. This region is a mixture of various ethnic and indigenous populations amalgamating multiple ancestries. One reason for such amalgamation is that, South Asia experienced multiple historic migrations from various parts of the world.

View Article and Find Full Text PDF

Fragmentation methods such as MIM (Molecules-in-Molecules) provide a route to accurately model large systems and have been successful in predicting their structures, energies, and spectroscopic properties. However, their use is often limited to systems at equilibrium due to the inherent complications in the choice of fragments in systems away from equilibrium. Furthermore, the presence of charges resulting from any heterolytic bond breaking may increase the fragmentation error.

View Article and Find Full Text PDF

Hybrid methods such as ONIOM (QM:QM) are widely used for the study of local processes in large systems. However, the intrinsic need for system partitioning often leads to a less-than-desirable performance for some important chemical processes. This is due to the missing interactions in the chemically important model region (i.

View Article and Find Full Text PDF

The design of advanced optical materials based on triplet states requires knowledge of the triplet energies of the molecular building blocks. To this end, we report the triplet energy of cyanostar () macrocycles, which are the key structure-directing units of small-molecule ionic isolation lattices (SMILES) that have emerged as programmable optical materials. Cyanostar is a cyclic pentamer of covalently linked cyanostilbene units that form π-stacked dimers when binding anions as 2:1 complexes.

View Article and Find Full Text PDF

Black tea samples (390) collected from local markets situated in different locations of India were monitored for the residues of 386 pesticides using QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) based extraction and analysis by gas and liquid chromatography tandem mass spectrometry (GC-MS/MS and LC-MS/MS). Residues of seventeen pesticides were detected, of which propargite, cypermethrin, and novaluron showed the highest % positive detections. A comparison of the concentrations of the detected pesticide residues with the available national and international maximum residue limits (MRLs) showed that seven samples exceeded the Indian MRLs while no sample was found to exceed the CODEX MRLs.

View Article and Find Full Text PDF

Hybrid methods such as ONIOM that treat different regions of a large molecule using different methods are widely used to investigate chemical reactions in a variety of materials and biological systems. However, there are inherent sources of significant errors due to the standard treatment of the boundary between the regions using hydrogen link atoms. In particular, an unbalanced charge distribution in the chemically important model region is a potential source of such problems.

View Article and Find Full Text PDF

Background: Despite having milder symptoms than adults, children are still susceptible to and can transmit SARS-CoV-2. Vaccination across all age groups is therefore necessary to curtail the pandemic. Among the available COVID-19 vaccine platforms, an inactivated vaccine platform has the advantage of excellent safety profile across all age groups; hence, we conducted an age de-escalation study to assess the safety, reactogenicity, and immunogenicity of an inactivated COVID-19 vaccine, BBV152 (COVAXIN; Bharat Biotech International, Hyderabad, India), in children aged 2-18 years.

View Article and Find Full Text PDF

A new strategy for the synthesis of highly versatile cyclobutylboronates via the photosensitized [2+2]-cycloaddition of alkenylboronates and alkenes is presented. The process is mechanistically different from other processes in that energy transfer occurs with the alkenylboronate as opposed to the other alkene. This strategy allows for the synthesis of an array of diverse cyclobutylboronates.

View Article and Find Full Text PDF

Candida auris is a multidrug-resistant nosocomial fungal pathogen. While the marine environment was recently identified as a natural niche for C. auris, the environment(s) that might have contributed to the development and spread of antifungal resistance in C.

View Article and Find Full Text PDF

The persistence of combination formulation of fluopyram 200 + tebuconazole 200-400 SC was evaluated across different agro-climates in India for the management of fungal diseases in two commercially important fruit crops, mango and pomegranate. The residues were extracted using quick easy cheap effective rugged and safe (QuEChERS) method and quantification was done on liquid chromatography-tandem mass spectrometry (LC-MS/MS). The fungicide degradation followed 1st-order kinetics and the half-lives were 2.

View Article and Find Full Text PDF

A systematic long-term study was conducted to monitor the pesticide residues in commercially important vegetables that are produced, consumed, and exported from India. Residues of 155 commonly used pesticides were determined in 966 samples of cabbage, green chilli, and okra grown in North and North-Western part of India. The residues were extracted using modified Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) method and quantified by gas chromatography-mass spectrometry and liquid chromatography tandem-mass spectrometry.

View Article and Find Full Text PDF
Article Synopsis
  • - Stress granules (SGs) are cellular structures that help manage stalled messenger RNAs and signaling factors during stress, playing a role in coordinating cell growth.
  • - Hsp90, a molecular chaperone, is essential for the dissolution of SGs by stabilizing the kinase DYRK3; when Hsp90 is inhibited, DYRK3 becomes inactive and either enters SGs or gets degraded.
  • - By keeping DYRK3 active, Hsp90 facilitates the disassembly of SGs, which helps restore mTORC1 signaling and protein translation, linking stress response to cell growth.
View Article and Find Full Text PDF

Multi-location supervised field trials in India were conducted with a combination pesticide formulation (iprovalicarb 5.5% + propineb 61.25%, 66.

View Article and Find Full Text PDF

We report the application of our fragment-based quantum chemistry model MIM (Molecules-In-Molecules) with electrostatic embedding. The method is termed "EE-MIM (Electrostatically Embedded Molecules-In-Molecules)" and accounts for the missing electrostatic interactions in the subsystems resulting from fragmentation. Point charges placed at the atomic positions are used to represent the interaction of each subsystem with the rest of the molecule with minimal increase in the computational cost.

View Article and Find Full Text PDF

Cabbage, one of the most popular vegetables in the world is infested by several insect-pests and diseases. Novaluron, a chitin synthesis inhibitor and lambda-cyhalothrin, a synthetic pyrethroid group insecticide are used to manage insect-pests on cabbage. The dissipation kinetics and risk assessment of combination formulation (novaluron 9.

View Article and Find Full Text PDF

Mutations in fused in sarcoma (FUS) lead to amyotrophic lateral sclerosis (ALS) with varying ages of onset, progression and severity. This suggests that unknown genetic factors contribute to disease pathogenesis. Here we show the identification of muscleblind as a novel modifier of FUS-mediated neurodegeneration in vivo.

View Article and Find Full Text PDF

Amyotrophic lateral sclerosis (ALS) arises from an interplay of genetic mutations and environmental factors. ssRNA viruses are possible ALS risk factors, but testing their interaction with mutations such as in , which encodes an RNA-binding protein, has been difficult due to the lack of a human disease model. Here, we use isogenic induced pluripotent stem cell (iPSC)-derived spinal neurons (SNs) to investigate the interaction between ssRNA viruses and mutant .

View Article and Find Full Text PDF

Multi-locational supervised field trials were conducted in different agro-climatic regions in India to study dissipation of trifloxystrobin and tebuconazole in tomato after spraying a combination formulation (trifloxystrobin 25% + tebuconazole 50%, 75WG) at recommended doses: (i) single (trifloxystrobin 87.5 g a.i.

View Article and Find Full Text PDF

Amyotrophic lateral sclerosis (ALS) is a lethal disease characterized by motor neuron degeneration and associated with aggregation of nuclear RNA-binding proteins (RBPs), including FUS. How FUS aggregation and neurodegeneration are prevented in healthy motor neurons remain critically unanswered questions. Here, we use a combination of ALS patient autopsy tissue and induced pluripotent stem cell-derived neurons to study the effects of FUS mutations on RBP homeostasis.

View Article and Find Full Text PDF

Extraction and quantification of pesticide residue from the milk matrix at or below the established maximum residue limit (MRL) is a challenging task for both analytical chemists and the regulatory institutions to take corrective actions for the human health and safety. The main aim of the study is to develop a simple rapid and less expensive QuEChERS extraction and cleanup method for simultaneous analysis of 41 multiclass pesticide residue in milk by gas chromatography-electron capture detector (GC-ECD), followed by confirmation of the residues with gas chromatography-mass spectrometer (GC-MS). Effect of sorbent type, temperature, spiking concentration, matrix effect (ME), measurement uncertainty (MU), inter- and intra-assay repeatability, reproducibility of recovery, and trueness of the results were investigated to validate the effectiveness of the method.

View Article and Find Full Text PDF

Multi-location supervised field trials were conducted in India at four locations of the All India Network Project (AINP) on Pesticide Residues to study the persistence, dissipation and risk assessment of flubendiamide and deltamethrin on cucumber (Cucumis sativus). Residues of flubendiamide and deltamethrin on cucumber resulting from three spray applications of a combination formulation (flubendiamide 90% + deltamethrin 60%, 150 SC) at recommended (22.5 + 15 g a.

View Article and Find Full Text PDF

Although a lot of work has been conducted in the pesticide residues analysis in food matrices but the quality determination (with respect to major contaminants such as pesticide residues) in medicinal plant matrices has a long way to go. Hence a study was conducted to determine pesticide residues in four medicinal herbs, which are highly traded commodities in international market. Samples were extracted and cleaned up by modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) approach and analyzed by gas chromatograph-mass spectrometer (GC-MS).

View Article and Find Full Text PDF

Dissipation kinetics of two systemic fungicides, namely fluopicolide and propamocarb used as a combination formulation (Infinito 68.75 SC), were studied on tomato at four different locations by the All India Network Project on Pesticide Residues to recommend their pre-harvest interval (PHI) and to propose the maximum residue limits (MRL) for the two fungicides based on chronic hazard exposure assessment. The combination fungicide was sprayed thrice at the recommended dosage of 93.

View Article and Find Full Text PDF

A simple multi-residue method based on modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) approach was established for the determination of 17 organochlorine (OC), 15 organophosphorous (OP) and 7 synthetic pyrethroid (SP) pesticides in an economically important medicinal plant of India, Senna (Cassia angustifolia), by gas chromatography coupled to electron capture and flame thermionic detectors (GC/ECD/FTD) and confirmation of residues was done on gas chromatograph coupled with mass spectrometry (GC-MS). The developed method was validated by testing the following parameters: linearity, limit of detection (LOD), limit of quantification (LOQ), matrix effect, accuracy-precision and measurement uncertainty; the validation study clearly demonstrated the suitability of the method for its intended application. All pesticides showed good linearity in the range 0.

View Article and Find Full Text PDF