Vibrational spectroscopic investigations, DFT computations, nonlinear optical and other molecular properties of 3-bromo-5-fluorobenzonitrile

The FTIR and FT-Raman spectra of 3-bromo-5-fluorobenzonitrile (BFBN) have been recorded in the regions 4000-400 cm-1 and 3500-400 cm-1, respectively. Utilizing the observed FT-Raman and FTIR data, a complete vibrational assignment and analysis of the fundamental modes of the compound have been carried out and subsequently confirmed by total energy distribution (TEDs). In the calculations performed to determine the optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, the density functional theory (DFT/B3LYP) method with 6-31+G(d,p) and 6-311++G(d,p) basis sets has been used. The results have been compared with the experimental values. The difference between the observed and scaled wavenumber values of most of the vibrational modes is very small. The NLO properties such as polarizability and first hyperpolarizability of the molecule have been calculated. The effects of frontier orbitals, HOMO and LUMO and the transition of electron density transfer have been discussed. The UV-Vis spectrum has been done which confirms the charge transfer of BFBN. The chemical interpretation of hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis

Assessment of groundwater quality using spatial variation technique

Groundwater management is a potential solution to the global water crisis. We assessed the groundwater quality at Mettupalayam, Tamil Nadu, India, in order to determine its suitability for drinking. Groundwater samples were collected and their physicochemical characteristics such as pH, electrical conductivity (EC), total hardness (TH), total dissolved solids (TDS), Ca2+, Mg2+, SO42- and Cl- were determined and benchmarked with standard drinking water requirements. The variations of these parameters were presented spatially. The groundwater is generally brackish and hard; and of low alkalinity and high salinity. Consequently, the groundwater in most parts of the study area is unsuitable for drinking without treatment. It is recommended that point and nonpoint sources of groundwater pollution at Mettupalayam should be identified, monitored and managed in order to protect the groundwater

An Internet Based Framework for Micro Devices Assembly

ABSTRACT This paper outlines the design of an Internet based collaborative framework to support the rapid assembly of micro devices. With the help of an agent programming language called 3APL, a distributed approach to achieving the life cycle of the various phases in the assembly of micro devices has been implemented. A discussion of the various agent resources created for a VE oriented approach is also provided in this paper

Variability in quality attributes of paprika and paprika alike chillies (Capsicum annuum L.)

An investigation was carried out to assess the variability in paprika alike chillies (26 indigenous germplasm) and paprika lines (18 exotic collections) for yield and quality attributing parameters, which would inturn help in identifying and utilizing the promising lines for crop improvement. Highly significant variation was recorded among the genotypes for yield and quality contributing characters. Kt-Pl-19, Kt-Pl-19 variant–I, ICBD-10, ICBD-8, SSP-1999 and PBC-171, were found promising, while ICBD-10, ICBD-8, ICBD-1, ICBD-11, ICBD-6, ICBD-19, CC-1, EC-171, EC-490, EC-18, EC-6, EC-45, EC-71 and EC-14 proved to be ideal for quality attributes. Based on yield and quality parameters, the genotypes ICBD-10, ICBD-8 and EC-18 were found suitable for paprika industry with high yield (> 850 g plant–1) and high quality attributing characters (> 200 ASTA units and < 0.5% capsaicin). Among the various characters, maximum coefficient of variation (15.25%) was recorded for capsaicin content in both indigenous and exotic germplasm and minimum variation for color value (0.46%) in the indigenous germplasm and weight of pericarp (6.78%) in the exotic collections. &nbsp

Cluster analysis based on biochemical constituents in paprika like chillies (Capsicum annuum L.)

Chillies and paprika like chillies (Capsicum annuum L.) belonging to Solanaceae, is a source of natural colour, widely used in the food industry and is in great demand in the international market. Twenty-four accessions belonging to Indigenous Collections of Byadagi Dabbi (ICBD) and others were analyzed for biochemical constituents from leaf. Biochemical constituents studied were total carbohydrate, starch, reducing sugars, total free amino acids, phenol and protein. The accessions were compared for the isozymes viz., peroxidase, super oxide dismutase and poly phenol oxidase in the leaf, besides, leaf protein using SDS-PAGE. The dendrogram showing the relationship among the accessions for leaf biochemical constituents and colour value of fruits formed six clusters. Colour value ranged from 109 to 353 ASTA units. The accessions ICBD-11 and ICBD-19 possessed highest colour value. Accession ICBD-24 was distinctly different from others. Accessions in each cluster had almost uniform colour value and uniform isozyme profile. The accession ICBD-24 was a Coorg collection and ICBD-11 and ICBD-19 were from Dharwad district of Karnataka. Significant positive correlation was observed between colour value and total free amino acids, total protein, total phenol and polyphenol oxidase in paprika like chillies. &nbsp

The protective effects of social bonding on behavioral and pituitary-adrenal axis reactivity to chronic mild stress in prairie voles.

Positive social interactions may protect against stress. This study investigated the beneficial effects of pairing with a social partner on behaviors and neuroendocrine function in response to chronic mild stress (CMS) in 13 prairie vole pairs. Following 5 days of social bonding, male and female prairie voles were exposed to 10 days of CMS (mild, unpredictable stressors of varying durations, for instance, strobe light, white noise, and damp bedding), housed with either the social partner (paired group) or individually (isolated group). Active and passive behavioral responses to the forced swim test (FST) and tail-suspension test (TST), and plasma concentrations of adrenocorticotropic hormone (ACTH) and corticosterone, were measured in all prairie voles following the CMS period. Both female and male prairie voles housed with a social partner displayed lower durations of passive behavioral responses (immobility, a maladaptive behavioral response) in the FST (mean ± SEM; females: 17.3 ± 5.4 s; males: 9.3 ± 4.6 s) and TST (females: 56.8 ± 16.4 s; males: 40.2 ± 11.3 s), versus both sexes housed individually (females, FST: 98.6 ± 12.9 s; females, TST: 155.1 ± 19.3 s; males, FST: 92.4 ± 14.1 s; males, TST: 158.9 ± 22.0 s). Female (but not male) prairie voles displayed attenuated plasma stress hormones when housed with a male partner (ACTH: 945 ± 24.7 pg/ml; corticosterone: 624 ± 139.5 ng/ml), versus females housed individually (ACTH: 1100 ± 23.2 pg/ml; corticosterone: 1064 ± 121.7 ng/ml). These results may inform understanding of the benefits of social interactions on stress resilience. Lay Summary: Social stress can lead to depression. The study of social bonding and stress using an animal model will inform understanding of the protective effects of social bonds. This study showed that social bonding in a rodent model can protect against behavioral responses to stress, and may also be protective against the elevation of stress hormones. This study provides evidence that bonding and social support are valuable for protecting against stress in humans

Nanogels as novel drug nanocarriers for CNS drug delivery

Nanogels are highly recognized as adaptable drug delivery systems that significantly contribute to improving various therapies and diagnostic examinations for different human diseases. These three-dimensional, hydrophilic cross-linked polymers have the ability to absorb large amounts of water or biological fluids. Due to the growing demand for enhancing current therapies, nanogels have emerged as the next-generation drug delivery system. They effectively address the limitations of conventional drug therapy, such as poor stability, large particle size, and low drug loading efficiency. Nanogels find extensive use in the controlled delivery of therapeutic agents, reducing adverse drug effects and enabling lower therapeutic doses while maintaining enhanced efficacy and patient compliance. They are considered an innovative drug delivery system that highlights the shortcomings of traditional methods. This article covers several topics, including the involvement of nanogels in the nanomedicine sector, their advantages and limitations, ideal properties like biocompatibility, biodegradability, drug loading capacity, particle size, permeability, non-immunological response, and colloidal stability. Additionally, it provides information on nanogel classification, synthesis, drug release mechanisms, and various biological applications. The article also discusses barriers associated with brain targeting and the progress of nanogels as nanocarriers for delivering therapeutic agents to the central nervous system

Rice biofortification: breeding and genomic approaches for genetic enhancement of grain zinc and iron contents

Rice is a highly consumed staple cereal cultivated predominantly in Asian countries, which share 90% of global rice production. Rice is a primary calorie provider for more than 3.5 billion people across the world. Preference and consumption of polished rice have increased manifold, which resulted in the loss of inherent nutrition. The prevalence of micronutrient deficiencies (Zn and Fe) are major human health challenges in the 21st century. Biofortification of staples is a sustainable approach to alleviating malnutrition. Globally, significant progress has been made in rice for enhancing grain Zn, Fe, and protein. To date, 37 biofortified Fe, Zn, Protein and Provitamin A rich rice varieties are available for commercial cultivation (16 from India and 21 from the rest of the world; Fe > 10 mg/kg, Zn > 24 mg/kg, protein > 10% in polished rice as India target while Zn > 28 mg/kg in polished rice as international target). However, understanding the micronutrient genetics, mechanisms of uptake, translocation, and bioavailability are the prime areas that need to be strengthened. The successful development of these lines through integrated-genomic technologies can accelerate deployment and scaling in future breeding programs to address the key challenges of malnutrition and hidden hunger

Sex differences in the adult human brain:Evidence from 5216 UK Biobank participants

Sex differences in the human brain are of interest for many reasons: for example, there are sex differences in the observed prevalence of psychiatric disorders and in some psychological traits that brain differences might help to explain. We report the largest single-sample study of structural and functional sex differences in the human brain (2750 female, 2466 male participants; mean age 61.7 years, range 44–77 years). Males had higher raw volumes, raw surface areas, and white matter fractional anisotropy; females had higher raw cortical thickness and higher white matter tract complexity. There was considerable distributional overlap between the sexes. Subregional differences were not fully attributable to differences in total volume, total surface area, mean cortical thickness, or height. There was generally greater male variance across the raw structural measures. Functional connectome organization showed stronger connectivity for males in unimodal sensorimotor cortices, and stronger connectivity for females in the default mode network. This large-scale study provides a foundation for attempts to understand the causes and consequences of sex differences in adult brain structure and function