Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization.

The hydrated sodium salt of 1,2,3,4-tetrahydroquinolinedithiocarbamate (1) has been successfully synthesized and characterized using IR, NMR, and X-ray single crystal analysis. The υC-S and thioureide υC-N bands appeared at 1484 cm-1 and 968 cm-1, respectively, in Na(H2O)3+(thqdtc)- • H2O. The notable NCS2 carbon signal emerged at 212 ppm, credited to unique nitrogen and sulfur-induced deshielding effects. Compound 1 crystallizes in the monoclinic system, P21/c space group, with dimensions a = 14.4297(4) Å, b = 6.1534(2) Å, c = 17.6701(4) Å, ß = 108.7340(10)°, V = 1485.83(7) Å3, and Z = 4. The structure of 1 exhibits a supramolecular architecture through secondary interactions, such as weak intermolecular interactions that link the molecules into a linear polymeric chain. The incorporation of heterocyclic rings in the dithiocarbamate ligands leads to the formation of an intriguing supramolecular architecture, as confirmed by BVS analysis results. The BVS value of sodium does not agree well with the formal oxidation state due to the interactions of anions, cations, coordinated and uncoordinated water molecules.

First Report on Molecular Identification of Moniezia expansa in Sheep from Mannavanur, Palani Hills, Tamil Nadu, India.

PURPOSE: Tape worm infection is common among sheep at SRRC, Mannavanur, Palani hills, Tamil Nadu, India. The aim of the present study is to find out the cestode species infecting the sheep being maintained at SRRC, Mannavanur, by means of molecular method. METHODS: During the second week of June 2021, the hogget flock of sheep (comprising both Bharat Merino and Avikalin sheep breeds) was drenched on empty stomach with commercial preparation of anthelmintic drug containing Niclosamide plus Albendazole, as per the standard dose specified by the manufacturer (Niclozole™: each 5 ml contains 500 mg of Niclosamide and 150 mg of Albendazole: dose for sheep-10 ml/15 kg body weight). The tapeworms expelled in dung by the drug-treated sheep were collected, washed in PBS (pH 7.2), and fixed in between two glass slides using 10% formalin. Furthermore, cytochrome c oxidase subunit I (Cox-I) gene-based PCR was carried out. Only partial sequence (1593 bp) of Cox-I gene of Moniezia expansa from Sheep at SRRC, Mannavanur, Tamil Nadu, India was obtained by PCR. The PCR amplified fragment was cloned into pGEM-T vector and the recombinant plasmid was sequenced. The obtained nucleotide sequences of Cox-I gene of the M. expansa from Indian sheep were analysed with that of 27 more cestode species from different mammalian species (available in GenBank) using bioinformatics tools. RESULTS: The species of the tapeworm was identified as Moniezia species by the Department of Veterinary Parasitology, VC& RI, Orathanadu, TANUVAS by the standard Acidic alum carmine staining method. Due to the ambiguity in the conventional method, Cox-I gene-based PCR and subsequent gene sequencing protocols were used for the identification of the species of cestode infecting sheep at SRRC, Mannavanur, and it was confirmed as M. expansa upon BLAST analysis. Moniezia expansa from SRRC, Mannavanur is having 100% sequence identity at nucleotide level with that of M. expansa from Sengal/Ethiopia. M. benedeni shared 87-88% nucleotide identity with Indian M. expansa. With taenids, the share of percent nucleotide identity of Indian M. expansa ranged from 79 to 81%. M. expansa from Indian sheep was clustering with other anaplocephalids from various mammalian species in the analysis of phylogenetic tree based on Cox-I nucleotide sequences. CONCLUSION: From the present study, it is concluded that M. expansa is the anoplocephalid cestode infecting the sheep at Mannavanur, Tamil Nadu, India. To our knowledge, this is the first report on partial nucleotide sequences of Cox-I gene of M. expansa from Sheep of Indian peninsula. An investigation on the involvement of oribatid mites as the vector in the transmission of M. expansa among sheep at SRRC, Mannavanur needs to be carried out.

Identification of important miRNAs in bubaline mammary gland at heifer stage - An in-silico approach.

The present study was undertaken to identify the microRNAs (miRNAs) expressed in the mammary tissue of a bubaline heifer. Small RNAs were isolated from the mammary gland tissue and enriched for miRNA fraction. The linker-ligated small RNAs were reverse transcribed to synthesize cDNA and amplified by PCR. The PCR products were ligated to the pGEM-T Easy vector; cloned into DH5 alpha cells and sequenced. Sequencing of 40 clones, randomly chosen from this library, produced 115 concatemerized short sequences. The short sequences were checked for their matches with the help of refseq_rna database, EST database (NCBI) and Ensembl. The analysis was performed for more than 90% identity with miRNAs across different species in miRBase. Alignment of putative small RNA sequences with the bovine genome was attempted in GenBank (NCBI) and Ensembl using BLAST. The small RNA sequences with a partial matches within the bovine genome and/or with flanking sequences (upstream or downstream) were analyzed for hairpin structures using the Mfold web server. Reverse complements were also assessed for the homology search. miRNA sequences showing only a partial match with already reported sequences were considered as a putative bubaline miRNAs. Six developmentally important putative miRNA precursors were identified from this study using cloning and sequencing followed by the Bioinformatics approach. This study will help in the elucidation of pathways involving miRNAs in bubaline species at the heifer stage.

Molecular characterization of Orf virus isolates from Kodai hills, Tamil Nadu, India.

AIM: The present study was carried out to find out the causative agent of exanthematous skin lesions in sheep maintained by Southern Regional Research Centre, Mannavanur, Kodai hills, Tamil Nadu. MATERIALS AND METHODS: Polymerase chain reaction (PCR) with Orf virus (ORFV) B2L gene-specific primers was carried out by employing the total genomic DNA isolated from the scabs as the template. The ORFV isolates from Kodai hills were characterized by the use of bioinformatics tools. RESULTS: The amino acid identity of ORFV isolate 1 from Kodai hills is having 98.14%, 96.29%, and 83.59% identity with reference strains of ORFV, Pseudocowpox virus, and bovine papular stomatitis virus, respectively. Phylogenetic analysis revealed that ORFV isolates from Kodai hills clustered with the other ORFV isolates from different geographical areas of India. CONCLUSION: The etiological agent of exanthematous skin lesion among sheep of Kodai hills is ORFV.

Repertoire of noncoding RNAs in corpus luteum of early pregnancy in buffalo (Bubalus bubalis).

AIM: The present study was designed to identify other noncoding RNAs (ncRNAs) in the corpus luteum (CL) during early pregnancy in buffalo. MATERIALS AND METHODS: For this study, CL (n=2) from two buffalo gravid uteri, obtained from the slaughter house, was transported to laboratory after snap freezing in liquid nitrogen (-196°C). The stage of pregnancy was determined by measuring the crown-rump region of the fetus. This was followed by isolation of RNA and deep sequencing. Post-deep sequencing, the obtained reads were checked and aligned against various ncRNA databases (GtRNA, RFAM, and deep guide). Various parameters, namely, frequency of specific ncRNAs, length, mismatch, and genomic location target in several model species were deciphered. RESULTS: Frequency of piwi-interacting RNAs (piwi-RNAs), having target location in rodents and human genomes, were significantly higher compared to other piwi-RNAs and ncRNAs. Ribosomal RNAs (rRNAs) deduced had nucleotides (nts) ranging from 17 to 50 nts, but the occurrence of small length rRNAs was more than lengthier fragments. The target on 16S rRNA species confirms the conservation of 16S rRNA across species. With respect to transfer RNA (tRNA), the abundantly occurring tRNAs were unique with no duplication. Small nucleolar RNAs (snoRNAs), identified in this study, showed a strong tendency for coding box C/D snoRNAs in comparison to H/ACA snoRNAs. Regulatory and evolutionary implications of these identified ncRNAs are yet to be delineated in many species, including buffaloes. CONCLUSION: This is the first report of identification of other ncRNAs in CL of early pregnancy in buffalo.

Identification of microRNAs in corpus luteum of pregnancy in buffalo (Bubalus bubalis) by deep sequencing.

This study was aimed to identify miRNAs of corpus luteum (CL) in buffaloes during pregnancy. For this study, CL (n=2) were collected from gravid uteri of buffalo and RNA was isolated. Following this, the purity and integrity of RNA was checked and used for deep sequencing using Illumina Hiseq 2500 platform. The reads' quality was checked prior to in silico analyses viz. identification of conserved, novel and target of miRNAs. In this study, out of identified miRNAs (3018), 3013 were known and 5 were novel miRNAs on alignment with reference genomes. In addition, prediction of putative target genes for identified abundant miRNAs revealed several genes viz. HOX, KLF4, NCOR2, CDKN2Z, MAPK7, COX2, PPARA, PTEN, ASS3A, ELK1, CASP3, BCL211, MCL1, CCND2, Cyclin A2 and CDC25A during early pregnancy in buffalo. These predicted target genes have been associated with various cellular house-keeping processes including apoptosis. In conclusion, this study reports the identification of conserved and novel microRNAs (miRNAs) in CL during pregnancy in buffalo by deep sequencing.

Genetic trend for growth and wool performance in a closed flock of Bharat Merino sheep at sub temperate region of Kodai hills, Tamil Nadu.

AIM: The study was conducted at Southern Regional Research Center, ICAR-Central Sheep and Wool Research Institute (CSWRI), Mannavanur, Kodaikanal, Tamil Nadu to estimate genetic trends for birth weight (BWT), weaning weight (3WT), 6 months weight (6WT), and greasy fleece weight (GFY) in a Bharat Merino (BM) flock, where selection was practiced for 6WT and GFY. MATERIALS AND METHODS: The data for this study represents a total of 1652 BM lambs; progeny of 144 sires spread over 15 years starting from 2000 to 2014, obtained from the BM flock of ICAR-SRRC (CSWRI), Mannavanur, Kodaikanal, Tamil Nadu, India. The genetic trends were calculated by regression of average predicted breeding values using software WOMBAT for the traits BWT, 3WT, 6WT and GFY versus the animal's birth year. RESULTS: The least square means were 3.28±0.02 kg, 19.08±0.23 kg, 25.00±0.35 kg and 2.13±0.07 kg for BWT, 3WT, 6WT and GFY, respectively. Genetic trends were positive and highly significant (p<0.01) for BWT, while the values for 3WT, 6WT and GFY though positive, were not significant. The estimates of genetic trends in BWT, 3WT, 6WT and GFY were 5 g, 0.8 g, 7 g and 0.3 g/year gain and the fit of the regression shows 55%, 22%, 42% and 12% coefficient of determination with the regressed value, respectively. In this study, estimated mean predicted breeding value (kg) in BWT and 3WT, 6WT and GFY were 0.067, 0.008, 0.036 and -0.003, respectively. CONCLUSION: Estimates of genetic trends indicated that there was a positive genetic improvement in all studied traits and selection would be effective for the improvement of body weight traits and GFY of BM sheep.

Spectroscopic and ultrasonic investigations on structural characterization of borate glass specimen doped with transition metal ions.

The present work describes the glass samples of composition (x% V2O5-(80-x)% B2O3-20% Na2CO3) VBS glass system and (x%MnO2-(80-x)% B2O3-20% Na2CO3) in MBS glass system with mol% ranging from x=3, 6, 9, 12, 15 and 18 in steps of 3 mol% are prepared by melt quenching technique. For these prepared glass systems, sound velocity (longitudinal and shear velocities) and density have been measured. The sound velocity (longitudinal and shear) was measured by using pulse-echo technique at 5 MHz. The XRD study was carried to out to ascertain the amorphous nature of the glass specimen. Using these measured values, the elastic moduli, Poisson's ratio, Debye temperature, acoustic impedance and thermal expansion coefficient of the two glass systems were evaluated. The elastic and mechanical properties of the prepared glass systems are analyzed from ultrasonic study and the structural characterization from spectroscopic study. The effects due to the doping of transition metal ions with borate have been discussed. In the V2O5 doped glass system,(VBS glass system) the sound velocity, density and elastic moduli, steeply increases after 12 mol% comparatively with MnO2 doped glass system (VBS glass system). The present study critically observes the doping of V2O5 with borate enhances the strengthening of network linkage and hardening of the glassy network structure than MnO2. The IR spectral analysis reveals depolymerization of the borate network and conversion of BO3 or BO4 units with the formation of non-bridging oxygen. The FTIR spectral studies confirm the presence of various functional groups of the sample. FTIR spectrum of sample exhibits broad absorption bands indicating the wide distribution of borate structural units. The effect of Na2CO3, V2O5 and MnO2 contents on the structures of borate glass is evaluated from the FTIR spectra. The topological aspects of the prepared glass samples are exhaustively reported from SEM micrographs.

Synthesis, spectral (IR, UV-Vis and variable temperature NMR) characterization and crystal structure of (N-benzyl-N-furfuryldithicarbamato-S,S')(thiocyanato-N)(triphenylphosphine)nickel(II).

Planar (N-benzyl-N-furfuryldithiocarbamato-S,S')(thiocyanato-N)(triphenylphospine)nickel(II), [Ni(bfdtc)(NCS)(PPh3)], (1) was prepared from bis(N-benzyl-N-furfuryldithiocarbamato-S,S')nickel(II), [Ni(bfdtc)2], (2) and characterized by elemental analysis, cyclic voltammetry, electronic, IR and variable temperature (1)H and (13)C NMR spectra. For complex 1, the thioureide vCN value is shifted to higher wavenumber compared to 2 and N(13)CS2 carbon signal observed for 1 is additionally shielded compared to the parent complex 2, suggesting increased strength of the thioureide bond due to the presence of the π-accepting phosphine. In the room temperature (13)C NMR spectrum of 1, two pseudo doublets are observed in the aliphatic region. Variable temperature (13)C NMR spectral studies suggest that the fast thiocyanate exchange appears to be responsible for the appearance of pseudo doublets. Single crystal X-ray structural analysis of 1 and 2 confirm the presence of four coordinated nickel in a distorted square planar arrangement with the NiS2PN and NiS4 chromophores, respectively. The NiS bonds are symmetric in 2 (2.1914(14) and 2.2073(13)Å). But significant asymmetry in NiS bond distances was observed in 1 (2.2202(8)Å and 2.1841Å). This observation clearly supports the less effective trans effect of SCN(-) over PPh3. Cyclic voltammetric studies revealed easier reduction of nickel(II) to nickel(I) in complex 1 compared to 2.

Bis{N-benzyl-N-[2-(thio-phen-2-yl)eth-yl]di-thio-carbamato-κ(2) S,S'}lead(II).

The mol-ecule of the title compound, [Pb(C14H14NS3)2], is located on a twofold rotation axis. The di-thio-carbamate anion S,S'-chelates to the Pb(II) atom, which shows a Ψ-trigonal-bipyramidal coordination. The thio-phene ring is disordered over two positions, the major component having 71.3 (7)% occupancy. The mol-ecular conformation is stabilized by intra-molecular C-H⋯S inter-actions.

Preparation of ZnS nanosheets from (2,2'-bipyridine)bis(1,2,3,4-tetrahydroquinolinecarbodithioato-S,S')zinc(II).

(2,2'-Bipyridine)bis(1,2,3,4-tetrahydroquinolinecarbodithioato-S,S')zinc(II), [Zn(thqdtc)(2)(2,2'-bipy)] (1) has been synthesized from bis(1,2,3,4-tetrahydroquinolinecarbodithioato-S,S')zinc(II), [Zn(thqdtc)(2)] (2) and characterized by elemental analysis, IR and NMR spectroscopy and single crystal X-ray analysis. In the (13)C NMR spectrum, complex 1 showed a single low-field resonance associated with back bone carbon of dithiocarbamate (N(13)CS(2)) at 209.2 ppm. Single crystal X-ray analysis of 1 showed that the zinc ion is in a distorted octahedral environment of two nitrogen atoms and four sulfur atoms around it. The complex 1 has been used as single source precursor for the preparation of ZnS nanosheets via solvothermal method. The ZnS nanosheets have been characterized by powder XRD, EDAX, TEM, UV-Vis and fluorescence spectroscopy. TEM studies indicate that the nanosheets are very thin. The nanosheets obtained show quantum size effect in their UV-Vis absorption spectrum. The strong emission peak centered at 415 nm in fluorescence spectrum could be attributed to the electron-hole recombination from internal vacancies for Zn and S atoms.

Bis[N-benzyl-N-(2-phenyl-eth-yl)dithio-carbamato-κ(2)S,S']lead(II).

The mol-ecule of the title compound, [Pb(C(16)H(16)NS(2))(2)], is located on a twofold rotation axis, which runs through the Pb(II) atom. The two dithio-carbamate ligands coordinate the metal in a pyramidal configuration through the S atoms. The two phenyl rings of each dithocarbamate ligand are aligned at a dihedral angle of 78.4 (1)°. The mol-ecular conformation is stabilized by intra-molecular C-H⋯S inter-actions.

Bis(µ-N-benzyl-N-furfuryldithio-carbamato)-1:2κS,S':S';2:1κS,S':S'-bis-[(N-benzyl-N-furfuryldithio-carbamato-κS,S')cadmium].

In the centrosymmetric title compound, [Cd(2)(C(13)H(12)NOS(2))(4)], pairs of dithio-carbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one Cd(II) atom and forms a planar four-membered CS(2)Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring Cd(II) atoms, forming extended eight-membered C(2)S(4)Cd(2) tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the Cd(II) atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).

cis-Bis(4-methyl-piperazine-1-carbo-dithio-ato-κS,S')bis-(pyridine-κN)cadmium.

In the title complex, [Cd(C(6)H(11)N(2)S(2))(2)(C(5)H(5)N)(2)], the Cd(II) ion is hexa-coordinated by two N atoms from two pyridine ligands and by four S atoms from two dithio-carbamate ligands in a distorted octa-hedral geometry. The Cd(II) ion lies on a twofold axis. The piperazine ring is in chair conformation and its least-squares plane makes a dihedral angle of 81.4 (1)° with that of the pyridine ring.

Bis(1,2,3,4-tetra-hydro-quinoline-1-thio-carbon-yl) disulfide.

In the title compound, C20H20N2S4, the N-containing six-membered rings of the two tetra-hydro-quinoline moieties adopt half-chair conformations. Intra-molecular C-H⋯S hydrogen bonding stabilizes the mol-ecular structure. In the crystal, mol-ecules associate via weak C-H⋯π inter-actions.

(1,2,3,4-Tetra-hydro-isoquinoline-2-carbo-dithio-ato-κS,S')(thio-cyanato-κN)(tri-phenyl-phosphane)nickel(II).

The Ni(II) atom in the mononuclear title compound, [Ni(C(10)H(10)NS(2))(NCS)(C(18)H(15)P)], exists within a S(2)PN donor set that defines a distorted square-planar geometry. A significant asymmetry in the Ni-S bond lengths support the less effective trans effect of SCN(-) over PPh(3).

Agricultural productivity, seasonality and gender bias in rural nutrition: empirical evidence from south India.

This paper analyzes changes in the nutrients intake, intra-household allocation and gender bias due to changes in agricultural productivity among four groups of rural households over six different seasons. The study utilizes household survey data collected from a village in Tamil Nadu, India. While the results are consistent with earlier findings that seasonality influences variation in the intake of nutrients, it is shown that subsistence agricultural households recover faster from poor crop yields than market oriented agricultural households in terms of nutrient intake. Agricultural labour households consumed lowest quantities of energy and protein in all the seasons with the highest degree of gender bias. The gender bias is more in terms of protein intake compared to energy intake for all the households. The non-agricultural households are least affected due to variability in crop yields and seasonality. While nutritional intake of the rural households is positively correlated with crop yields, the variations in yields worsen the gender bias. It is argued that reducing dependency of rural households on agriculture may reduce malnutrition and the gender bias associated with it.