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1.
Heliyon ; 10(7): e28195, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38571667

RESUMO

People who work in dangerous environments include farmers, sailors, travelers, and mining workers. Due to the fact that they must evaluate the changes taking place in their immediate surroundings, they must gather information and data from the real world. It becomes crucial to regularly monitor meteorological parameters such air quality, rainfall, water level, pH value, wind direction and speed, temperature, atmospheric pressure, humidity, soil moisture, light intensity, and turbidity in order to avoid risks or calamities. Enhancing environmental standards is largely influenced by IoT. It greatly advances sustainable living with its innovative and cutting-edge techniques for monitoring air quality and treating water. With the aid of various sensors, microcontroller (Arduino Uno), GSM, Wi-Fi, and HTTP protocols, the suggested system is a real-time smart monitoring system based on the Internet of Things. Also, the proposed system has HTTP-based webpage enabled by Wi-Fi to transfer the data to remote locations. This technology makes it feasible to track changes in the weather from any location at any distance. The proposed system is a sophisticated, efficient, accurate, cost-effective, and dependable weather station that will be valuable to anyone who wants to monitor environmental changes on a regular basis.

3.
PLoS One ; 19(3): e0298731, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38527047

RESUMO

A shell and tube heat exchanger (STHE) for heat recovery applications was studied to discover the intricacies of its optimization. To optimize performance, a hybrid optimization methodology was developed by combining the Neural Fitting Tool (NFTool), Particle Swarm Optimization (PSO), and Grey Relational Analysis (GRE). STHE heat exchangers were analyzed systematically using the Taguchi method to analyze the critical elements related to a particular response. To clarify the complex relationship between the heat exchanger efficiency and operational parameters, grey relational grades (GRGs) are first computed. A forecast of the grey relation coefficients was then conducted using NFTool to provide more insight into the complex dynamics. An optimized parameter with a grey coefficient was created after applying PSO analysis, resulting in a higher grey coefficient and improved performance of the heat exchanger. A major and far-reaching application of this study was based on heat recovery. A detailed comparison was conducted between the estimated values and the experimental results as a result of the hybrid optimization algorithm. In the current study, the results demonstrate that the proposed counter-flow shell and tube strategy is effective for optimizing performance.


Assuntos
Algoritmos , Temperatura Alta
4.
Anat Sci Int ; 2024 Mar 07.
Artigo em Inglês | MEDLINE | ID: mdl-38448780

RESUMO

The hippocampal complex of birds is a narrow-curved strip of tissue that plays a crucial role in learning, memory, spatial navigation, and emotional and sexual behavior. This study was conducted to evaluate the effect of unpredictable chronic mild stress in multipolar neurons of 3-, 5-, 7-, and 9-week-old chick's hippocampal complex. This study revealed that chronic stress results in neuronal remodeling by causing alterations in dendritic field, axonal length, secondary branching, corrected spine number, and dendritic branching at 25, 50, 75, and 100 µm. Due to stress, the overall dendritic length was significantly retracted in 3-week-old chick, whereas no significant difference was observed in 5- and 7-week-old chick, but again it was significantly retracted in 9-week-old chick along with the axonal length. So, this study indicates that during initial days of stress exposure, the dendritic field shows retraction, but when the stress continues up to a certain level, the neurons undergo structural modifications so that chicks adapt and survive in stressful conditions. The repeated exposure to chronic stress for longer duration leads to the neuronal structural disruption by retraction in the dendritic length as well as axonal length. Another characteristic which leads to structural alterations is the dendritic spines which significantly decreased in all age groups of stressed chicks and eventually leads to less synaptic connections, disturbance in physiology, and neurology, which affects the learning, memory, and coping ability of an individual.

5.
Chemphyschem ; : e202300472, 2024 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-38487944

RESUMO

Catalysts with V2O5, WO3 and V2O5-WO3 dispersed over TiO2 were synthesized using sol-gel technique and thoroughly characterized by various techniques. The catalysts were evaluated for degradation of ortho-dichloro benzene (o-DCB) in air/helium, a representative probe molecule for polychlorinated dibenzo-para-dioxin and polychlorinated dibenzofuran by employing in situ Fourier-transform infrared spectroscopy (FT-IR spectroscopy). Different intermediate species formed on the surface of the TiO2 supported catalysts through of interaction of sorbate molecules with the lattice and/or gaseous oxygen were investigated in detail. Analysis of vibrational bands, observed during sorption of o-DCB and o-DCB-air mixture as a function of temperature over these catalysts, delineated the role of surface intermediate species such as phenolate, enolates, maleates, carboxylates, carbonates in mineralization of o-DCB. Nature and stability of intermediate species, found to be different over these catalysts, were able to elucidate the catalytic activity trend.

6.
J Med Chem ; 67(6): 4691-4706, 2024 Mar 28.
Artigo em Inglês | MEDLINE | ID: mdl-38470246

RESUMO

Disease-related phenotypic assays enable unbiased discovery of novel bioactive small molecules and may provide novel insights into physiological systems and unprecedented molecular modes of action (MMOA). Herein, we report the identification and characterization of epoxykynin, a potent inhibitor of the soluble epoxide hydrolase (sEH). Epoxykynin was discovered by means of a cellular assay monitoring modulation of kynurenine (Kyn) levels in BxPC-3 cells upon stimulation with the cytokine interferon-γ (IFN-γ) and subsequent target identification employing affinity-based chemical proteomics. Increased Kyn levels are associated with immune suppression in the tumor microenvironment and, thus, the Kyn pathway and its key player indoleamine 2,3-dioxygenase 1 (IDO1) are appealing targets in immuno-oncology. However, targeting IDO1 directly has led to limited success in clinical investigations, demonstrating that alternative approaches to reduce Kyn levels are in high demand. We uncover a cross-talk between sEH and the Kyn pathway that may provide new opportunities to revert cancer-induced immune tolerance.


Assuntos
Cinurenina , Neoplasias , Humanos , Cinurenina/metabolismo , Neoplasias/metabolismo , Indolamina-Pirrol 2,3,-Dioxigenase , Microambiente Tumoral
7.
Science ; 383(6682): 498-503, 2024 Feb 02.
Artigo em Inglês | MEDLINE | ID: mdl-38301027

RESUMO

The Pauson-Khand reaction has in the past 50 years become one of the most common cycloaddition reactions in chemistry. Coupling two unsaturated bonds with carbon monoxide, the transformation remains limited to CO as a C1 building block. Herein we report analogous cycloaddition reactions with nitrenes as an N1 unit. The reaction of a nonconjugated diene with a nitrene precursor produces bicyclic bioisosteres of common saturated heterocycles such as piperidine, morpholine, and piperazine. Experimental and computational mechanistic studies support relaying of the diradical nature of triplet nitrene into the π-system. We showcase the reaction's utility in late-stage functionalization of drug compounds and discovery of soluble epoxide hydrolase inhibitors.

8.
Artigo em Inglês | MEDLINE | ID: mdl-38305404

RESUMO

BACKGROUND: v-RAF murine sarcoma viral homolog B1 (BRAF) is one of the most frequently mutated kinases in human cancers. BRAF exhibits three classes of mutations: Class I monomeric mutants (BRAFV600), class II BRAF homodimer mutants (non-V600), and class III BRAF heterodimers (non-V600). METHOD: In this manuscript, the protein-ligand interaction site of all three mutants: BRAF monomer, BRAF homodimer BRAF2:14-3-32, and BRAF heterodimer BRAF:14-3-32:MEK (Mitogen extracellular Kinase) has been discussed. FDA-approved drugs still have limitations against all three classes of mutants, especially against the second and third classes. Using the DesPot grid model, 1114 new compounds were designed. Using virtual screening, the three PDB Ids 4XV2 for monomers, 7MFF for homodimers, and 4MNE for heterodimers were used for 1114 newly designed compounds. RESULT: Dabrafenib, encorafenib, sorafenib and vemurafenib were included as standard drugs. The top 10 hit molecules were identified for each protein. Additional binding studies were performed using molecular docking studies on the protein-ligand site of each PDB identifier. Absorption, distribution, metabolism, excretion (ADME) and toxicity studies were also performed. CONCLUSION: It was identified that top-hit molecules had better binding and interaction activity than standard in all three classes of mutants.

9.
J Chem Neuroanat ; 137: 102401, 2024 Feb 20.
Artigo em Inglês | MEDLINE | ID: mdl-38382581

RESUMO

Over time, scientists have been fascinated by the complex connections among nutrition, brain development, and behavior. It's been well understood that the brain's peak performance relies on having the right nutrients available. Thus, nutritional insufficiency, where an organism lacks vital nutrients crucial for optimal growth and function, can upset the body's balance, potentially triggering stress responses. However, our grasp of how the brain reacts to insufficient nutrition, particularly in avian species like domestic chickens, has shown inconsistencies in our understanding. Domestic chickens have frequently served as subjects for studying memory and learning, primarily focusing on the hippocampus-a region highly responsive to environmental changes. Yet, another critical brain region, the parahippocampal region, integral to memory and spatial cognition, had received relatively little attention concerning the consequences of inadequate nutrition and hydration. To address this knowledge gap, our study sought to investigate the impact of stress induced by nutritional insufficiency on the neuronal cells within the region parahippocampalis in two distinct age groups of domestic chickens, Gallus gallus domesticus: fifteen and thirty days old. We employed the Golgi-Cox-Impregnation technique to explore whether the structural characteristics of neuronal cells, specifically the dendritic spines, underwent changes under transient stressful conditions during these crucial developmental stages. The results were intriguing. Stress evidently induced observable alterations in the dendritic spines of the parahippocampal neuronal cells, with the extent of these changes being age-dependent. In fifteen-day-old chickens, stress prompted substantial modifications in the dendritic spines of parahippocampal multipolar and pyramidal neurons. In contrast, among thirty-day-old chickens, the response to stress was less comprehensive, with only specific parahippocampal multipolar neurons displaying such alterations. These findings underscored the influential role of stress in reshaping the structure of parahippocampal neurons and emphasized the importance of considering age when studying the impact of stress on the brain. Through this research, we aim to enhance our understanding of the intricate interplay between stress, brain structure, and the critical role of adequate nutrition, especially during pivotal developmental stages. Our future research objectives include a deeper investigation into the intracellular events including cellular and molecular mechanisms precipitating these changes and determining whether these alterations have downstream effects on crucial brain functions like learning and memory.

10.
Protein Sci ; 33(3): e4917, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38358265

RESUMO

Human histone deacetylase 4 (HDAC4) is a key epigenetic regulator involved in a number of important cellular processes. This makes HDAC4 a promising target for the treatment of several cancers and neurodegenerative diseases, in particular Huntington's disease. HDAC4 is highly regulated by phosphorylation and oxidation, which determine its nuclear or cytosolic localization, and exerts its function through multiple interactions with other proteins, forming multiprotein complexes of varying composition. The catalytic domain of HDAC4 is known to interact with the SMRT/NCOR corepressor complex when the structural zinc-binding domain (sZBD) is intact and forms a closed conformation. Crystal structures of the HDAC4 catalytic domain have been reported showing an open conformation of HDAC4 when bound to certain ligands. Here, we investigated the relevance of this HDAC4 conformation under physiological conditions in solution. We show that proper zinc chelation in the sZBD is essential for enzyme function. Loss of the structural zinc ion not only leads to a massive decrease in enzyme activity, but it also has serious consequences for the overall structural integrity and stability of the protein. However, the Zn2+ free HDAC4 structure in solution is incompatible with the open conformation. In solution, the open conformation of HDAC4 was also not observed in the presence of a variety of structurally divergent ligands. This suggests that the open conformation of HDAC4 cannot be induced in solution, and therefore cannot be exploited for the development of HDAC4-specific inhibitors.


Assuntos
Histona Desacetilases , Zinco , Humanos , Domínio Catalítico , Ligantes , Fosforilação , Histona Desacetilases/química
11.
Sci Total Environ ; 917: 170418, 2024 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-38286294

RESUMO

Conservation-agriculture and organic-farming are two sustainable-agriculture approaches to ensure food security and environmental-sustainability. Hence, a field study assessed the productivity, soil-health and carbon-dynamics of soybean-wheat cropping system (SWCS) under four tillage and residue-management practices (TRMPs) viz., Conventional-tillage without residues (CT-R), conventional-tillage with residue-retention in both crops at 3 t ha-1 each (CT + R), zero-tillage without residues (ZT-R), and zero-tillage with residue-retention in both crops at 3 t ha-1 each (ZT + R); and five organic-nutrient-management-practices (ONMPs) in both crops viz., 100 % RDF (N1), 100 % RDN through FYM (N2), 100 % RDN through VC (N3), 100 % RDN through FYM + Biofertilizers + Cow-urine + Panchgavya + Jeevamrut (N4), and 100 % RDN through VC + Biofertilizers + Cow-urine + Panchgavya + Jeevamrut (N5), in split-plot-design replicated-thrice. Among TRMPs, ZT + R enhanced system-productivity (SEY) by ∼17.2 % over CT-R, besides improved soil available-N, P, K by 6.4, 6.5 and 6.5 %, respectively. SMBC, SMBN and SMBP were higher under ZT + R by 16.2, 21.5 and 10.8 % over CT-R, respectively. ZT + R had higher soil enzyme activities of DHA, Acid-P, ALP, URA, and FDA over CT-R by 19.4, 20.7, 21.5, 20.7 and 15.2 %, respectively. ZT + R also had higher VLC, ACP, LI and CMI over CT-R. Among ONMPs, the natural-farming based ONMP, N5 considerably improved SMBC, SMBN, SMBP, FDA, DHA, Acid-P, URA, and ALP by 12.7-12.9 % over N1 (100 % RDF). ONMP-N5 improved the available-N, P, K content over N1 by 6.6, 5.8 and 6.7 %, respectively. ONMP-N5 had higher (p < 0.05) microbial-count, VLC, APC, LI and CMI; however, system-productivity was ∼4.1 % lower than N1 in this two-years' short-study which further need investigation in multi-location long-term experiments. Overall, the dual-crop basis ZT + R at 6 t ha-1 year-1 + NF-based ONMPs (N5) may harness higher and sustained productivity under SWCS besides advancing soil-health and soil carbon-pools in sandy-loam soils of north-Indian plains and similar soils across south-Asia.

12.
Chem Biol Drug Des ; 103(1): e14372, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-37817296

RESUMO

Human immunodeficiency virus (HIV) causes acquired immunodeficiency syndrome (AIDS), a lethal disease that is prevalent worldwide. According to the Joint United Nations Programme on HIV/AIDS (UNAIDS) data, 38.4 million people worldwide were living with HIV in 2021. Viral reverse transcriptase (RT) is an excellent target for drug intervention. Nucleoside reverse transcriptase inhibitors (NRTIs) were the first class of approved antiretroviral drugs. Later, a new type of non-nucleoside reverse transcriptase inhibitors (NNRTIs) were approved as anti-HIV drugs. Zidovudine, didanosine, and stavudine are FDA-approved NRTIs, while nevirapine, efavirenz, and delavirdine are FDA-approved NNRTIs. Several agents are in clinical trials, including apricitabine, racivir, elvucitabine, doravirine, dapivirine, and elsulfavirine. This review addresses HIV-1 structure, replication cycle, reverse transcription, and HIV drug targets. This study focuses on NRTIs and NNRTIs, their binding sites, mechanisms of action, FDA-approved drugs and drugs in clinical trials, their resistance and adverse effects, their molecular docking studies, and highly active antiretroviral therapy (HAART).


Assuntos
Síndrome de Imunodeficiência Adquirida , Fármacos Anti-HIV , Infecções por HIV , HIV-1 , Humanos , Inibidores da Transcriptase Reversa/farmacologia , Inibidores da Transcriptase Reversa/uso terapêutico , Fármacos Anti-HIV/farmacologia , Fármacos Anti-HIV/uso terapêutico , Simulação de Acoplamento Molecular , Infecções por HIV/tratamento farmacológico , Síndrome de Imunodeficiência Adquirida/induzido quimicamente , Síndrome de Imunodeficiência Adquirida/tratamento farmacológico , Transcriptase Reversa do HIV/metabolismo
13.
Drug Discov Today ; 29(1): 103853, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38070703

RESUMO

Deoxyuridine-5'-triphosphate nucleotidohydrolase (dUTPase), a vital enzyme in pyrimidine metabolism, is a prime target for treating colorectal cancer. Uracil shares structural traits with DNA/RNA bases, prompting exploration by medicinal chemists for pharmacological modifications. Some existing drugs, including thymidylate synthase (TS) and dUTPase inhibitors, incorporate uracil moieties. These derivatives hinder crucial cell proliferation pathways encompassing TS, dUTPases, dihydropyrimidine dehydrogenase, and uracil-DNA glycosylase. This review compiles uracil derivatives that have served as dUTPase inhibitors across various organisms, forming a library for targeting human dUTPase. Insights into their structural requisites for human applications and comparative analyses of binding pockets are provided for analyzing the compounds against human dUTPase.


Assuntos
Neoplasias Colorretais , Uracila , Humanos , Uracila/farmacologia , Uracila/uso terapêutico , Química Farmacêutica , Pirofosfatases/metabolismo , Neoplasias Colorretais/tratamento farmacológico
14.
J Anat ; 244(5): 831-860, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38153009

RESUMO

The avian dorsomedial surface of the cerebral hemisphere is occupied by the hippocampal complex (HCC), which plays an important role in learning, memory, cognitive functions, and regulating instinctive behavior patterns. The objective of the study was to evaluate the effect of chronic mild stress (CMS) in 4, 6, and 8 weeks and after chronic stress removal (CSR) in 6 and 8 weeks, on neuronal plasticity in HCC neurons of chicks through the Golgi-Cox technique. Further, behavioral study and open field test were conducted to test of exploration or of anxiety. The study revealed that the length of CMS and CSR groups shows a similar pattern as in nonstressed (NS) chicks, while weight shows nonsignificant decrease due to CMS as compared to NS and after CSR. The behavioral test depicts that the CMS group took more time to reach the food as compared to the NS and CSR groups. Due to CMS, the dendritic field of multipolar neurons shows significant decrease in 4 weeks, but in 6- and 8-week-old chicks, the multipolar, pyramidal, and stellate neurons depict significant decrease, whereas after CSR all neurons show significant increase in 8-week-old chicks. In 4- and 8-week-old chicks, all neurons depict significant decrease in their spine number, whereas in 6 weeks only multipolar neurons show significant decrease, but after CSR significant increase in 8-week-old chicks was observed. The study revealed that HCC shows continuous neuronal plasticity, which plays a significant role in normalizing and re-establishing the homeostasis in animals to survive.


Assuntos
Dendritos , Neurônios , Animais , Dendritos/fisiologia , Neurônios/fisiologia , Hipocampo , Aprendizagem , Galinhas , Plasticidade Neuronal/fisiologia
15.
RSC Med Chem ; 14(10): 1837-1857, 2023 Oct 18.
Artigo em Inglês | MEDLINE | ID: mdl-37859720

RESUMO

MEK1/2 are critical components of the RAS-RAF-MEK-ERK or MAPK signalling pathway that regulates a variety of cellular functions including proliferation, survival, and differentiation. In 1997, a lung cancer cell line was first found to have a MEK mutation (encoding MEK2P298L). MEK is involved in various human cancers such as non-small cell lung cancer (NSCLC), spurious melanoma, and pancreatic, colorectal, basal, breast, and liver cancer. To date, 4 MEK inhibitors i.e., trametinib, cobimetinib, selumetinib, and binimetinib have been approved by the FDA and several are under clinical trials. In this review, we have highlighted structural insights into the MEK1/2 proteins, such as the αC-helix, catalytic loop, P-loop, F-helix, hydrophobic pocket, and DFG motif. We have also discussed current issues with all FDA-approved MEK inhibitors or drugs under clinical trials and combination therapies to improve the efficacy of clinical drugs. Finally, this study addressed recent developments on synthetic MEK inhibitors (from their discovery in 1997 to 2022), their unique properties, and their relevance to MEK mutant inhibition.

16.
Neurologist ; 2023 Sep 22.
Artigo em Inglês | MEDLINE | ID: mdl-37839091

RESUMO

INTRODUCTION: Arterial thoracic outlet syndrome (aTOS) is the least common among the 3 subtypes of thoracic outlet syndrome and can be the cause of posterior circulation infarction due to thrombus from a secondary thrombosed subclavian-axillary artery aneurysm. CASE REPORT: Here, we report a case of a 51-year-old man who presented to our institute with sudden onset vertigo, dizziness, vomiting, gait imbalance, and visual field defects immediately after strenuous exercise. Computed tomography angiography revealed bilateral cervical ribs with aneurysmal dilatation of the left distal subclavian and proximal axillary arteries. The computed tomography also revealed subacute infarcts in the bilateral cerebellar hemispheres, as well as in the bilateral occipital lobes. Color Doppler evaluation of the subclavian artery after hyperabduction of the ipsilateral arm revealed a continuous reversal of flow in the subclavian artery, which reached the vertebral ostia. The left cervical rib was resected, aneurysm was repaired, and the patient remained asymptomatic on follow-up. CONCLUSION: Posterior circulation stroke caused by the ipsilateral thrombosed subclavian artery aneurysm in an adult patient with aTOS due to a complete cervical rib is rare. A high index of suspicion should be present for thoracic outlet syndrome in patients with stroke and upper-limb arterial claudication symptoms. Dynamic Doppler evaluation in such patients can be used to demonstrate the underlying pathomechanism, and definitive surgical treatment can prevent further ischemic episodes. Posterior circulation stroke caused by partially thrombosed distal subclavian and axillary artery aneurysms due to aTOS is rare.

17.
J Biomol Struct Dyn ; : 1-16, 2023 Oct 09.
Artigo em Inglês | MEDLINE | ID: mdl-37807916

RESUMO

MEK mutations are more common in various human malignancies, such as pancreatic cancer (70-90%), mock melanoma (50%), liver cancer (20-40%), colorectal cancer (25-35%), melanoma (15-20%), non-small cell lung cancer (10-20%) and basal breast cancer (1-5%). Considering the significance of MEK mutations in diverse cancer types, the rational design of the proposed compounds relies on the structural resemblance to FDA-approved MEK inhibitors like selumetinib and binimetinib. The compound under design features distinct substitutions at the benzimidazole moiety, specifically at positions 2 and 3, akin to the FDA-approved drugs, albeit differing in positions 5 and 6. Subsequent structural refinement was guided by key elements including the DFG motif, hydrophobic pocket and catalytic loop of the MEK protein. A set of 15 diverse diaryl benzimidazole derivatives (S1-S15) were synthesized via a one-pot approach and characterized through spectroscopic techniques, including MASS, IR, 1H NMR and 13C NMR. In vitro anticancer activities of all the synthesized compounds were evaluated against four cancer cell lines, A375, HT -29, A431 and HFF, along with the standard drug trametinib. Molecular docking was performed for all synthesized compounds (S1-15), followed by 950 ns molecular dynamics simulation studies for the promising compounds S1, S5 and S15. The stability of these complexes was assessed by calculating the root-mean-square deviation, solvent accessible surface area and gyration radius relative to their parent structures. Additionally, free energy of binding calculations were performed. Based on the biological and computational results, S15 was the most potent compound and S1 and S5 are comparable to the standard drug trametinib.Communicated by Ramaswamy H. Sarma.

18.
Planta ; 258(5): 91, 2023 Sep 30.
Artigo em Inglês | MEDLINE | ID: mdl-37777666

RESUMO

MAIN CONCLUSION: Due to harsh lifestyle changes, in the present era, nutritional security is needed along with food security so it is necessary to include underutilized cereal crops (UCCs) in our daily diet to counteract the rising danger of human metabolic illness. We can attain both the goal of zero hunger and nutritional security by developing improved UCCs using advanced pan-omics (genomics, transcriptomics, proteomics, metabolomics, nutrigenomics, phenomics and ionomics) practices. Plant sciences research progressed profoundly since the last few decades with the introduction of advanced technologies and approaches, addressing issues of food demand of the growing population, nutritional security challenges and climate change. However, throughout the expansion and popularization of commonly consumed major cereal crops such as wheat and rice, other cereal crops such as millet, rye, sorghum, and others were impeded, despite their potential medicinal and nutraceutical qualities. Undoubtedly neglected underutilized cereal crops (UCCs) also have the capability to withstand diverse climate change. To relieve the burden of major crops, it is necessary to introduce the new crops in our diet in the way of UCCs. Introgression of agronomically and nutritionally important traits by pan-omics approaches in UCCs could be a defining moment for the population's well-being on the globe. This review discusses the importance of underutilized cereal crops, as well as the application of contemporary omics techniques and advanced bioinformatics tools that could open up new avenues for future study and be valuable assets in the development and usage of UCCs in the perspective of green system biology. The increased and improved use of UCCs is dependent on number of factors that necessitate a concerted research effort in agricultural sciences. The emergence of functional genomics with molecular genetics might gear toward the reawakening of interest in underutilized cereals crops. The need of this era is to focus on potential UCCs in advanced agriculture and breeding programmes. Hence, targeting the UCCs, might provide a bright future for better health and scientific rationale for its use.


Assuntos
Grão Comestível , Melhoramento Vegetal , Humanos , Grão Comestível/genética , Grão Comestível/metabolismo , Melhoramento Vegetal/métodos , Produtos Agrícolas/genética , Proteômica/métodos , Genômica/métodos
19.
Phys Chem Chem Phys ; 25(36): 24809-24818, 2023 Sep 20.
Artigo em Inglês | MEDLINE | ID: mdl-37671753

RESUMO

Enhancing the catalytic reactivity of Frustrated Lewis Pairs (FLPs) in various activities such as CO2 activation and sequestration has recently gained interest among researchers around the globe. A recent investigation showed the use of aromaticity as a tool to modulate the catalytic behaviour of FLPs, establishing a whole new dimension in this area. In this work, aromatically tempered N/B-based intramolecular frustrated Lewis Pairs (IFLPs) are proposed for CO2 sequestration. Density functional theory (DFT)-based calculations were carried out to probe the reaction mechanism. The detailed mechanistic investigation was carried out using intrinsic reaction coordinate (IRC), principal interacting orbital (PIO), intrinsic bond orbital (IBO) and natural bonding orbital (NBO) analyses. The results show that aromatic gain in the system at the basic sites lowers the activation barrier, whereas the antiaromatic gain results in increased activation energy. The sequestration mechanism was found to be an asynchronous concerted mechanism, and polar solvents result in higher asynchronicity. This work, for the first time, reports asynchronicity in the catalytic behavior of aromatically tempered IFLPs, which can be crucial to designing better IFLPs for CO2 sequestration.

20.
Plants (Basel) ; 12(10)2023 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-37653890

RESUMO

Metal contamination coupled with aridity is a major challenge for remediation of abiotic stressed soils throughout the world. Both biochar and beneficial bacteria showed a significant effect in bioremediation; however, their conjugate study needs more exploration. Two rhizobacteria strains Serratia sp. FV34b and Pseudomonas sp. ASe42b isolated from multi-metal and drought stressed sites showed multiple plant-growth-promoting attributes (phosphate solubilization, indole-3-acetic acid, siderophore, and ammonia production). Both strains were able to tolerate a high concentration of Cd along with being resistant to drought (-0.05 to -0.73 MPa). The seldom studied biomass of Amaranthus caudatus L. was used for biochar preparation by pyrolyzing it at 470 °C for 160 min under limited oxygen and then using it for the preparation of biochar-based microbial cell composites (BMC)s. To check the efficiency of BMC under Cd stress (21 mg kg-1 soil) and drought, a pot-scale study was conducted using Brassica napus L. for 47 days. Both the BMC5 (Biochar + Serratia sp. FV43b) and BMC9 (Biochar + Pseudomonas sp. ASe42b) improved the seed germination, plant biometrical (shoot and root biomass, length of organs) and physiological (photosynthetic pigments, proline, malondialdehyde, and relative water content) parameters under drought (exerted until it reaches up to 50% of field capacity) and Cd-spiked soil. However, for most of them, no or few significant differences were observed for BMC9 before and after drought. Moreover, BMC9 maximized the Cd accumulation in root and meager transfer to shoot, making it a best bioformulation for sustainable bioremediation of Cd and drought stressed soils using rapeseed plant.

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