Comparative evaluation of hormonal protocol on the performance of crossbred cattle.

A total of 60 animals (38 cows, 22 heifers) were selected and were divided into three groups of 20 animals each (containing both anoestrus and repeat breeder) in which treatment was performed for 60 days. Group I: control (farmer practice), T1 group: group I + hormone (double synch), and T2 group: group I + hormone (Estra double synch). The growth performances were measured in terms of body weight and average daily gain (ADG). Blood collection was done at the start and end of the experiment for assessment of blood biochemical, hematological, and reproductive status of the animals. Results revealed significant improvement in growth and reproductive performances in treatment group as compared to control group. Higher percentage of conception was achieved in group III (60%) followed by group II (55%). The least percentage was in group I (15%), i.e., in control group. So it was found that the effect of treating the reproductive-disordered animals with Estra double synch gave comparatively better result than double synch hormonal application.

Conformational stabilities of iminoallantoin and its base pairs in DNA: implications for mutagenicity.

The types of mutations induced by oxidatively damaged products of DNA are continuously in debate. For example, some biochemical studies have proposed that guanidinohydantoin (Gh) would induce exclusively G to C mutations, while other studies have predicted a mixture of various mutations including G to C, G to T and G to A. In addition to the nature of mutations, the exact reasons of these mutations are also not properly understood. It is suggested that Gh can easily isomerize to iminoallantoin (Ia) in a pH-dependent manner and the transition becomes complete at pH > 8. In order to understand Gh/Ia-induced mutations, we have here studied the role of the most stable tautomer of Ia in the R- and S-enantiomeric configurations in promoting mismatch base pair complexes in DNA by employing a density functional theoretical (DFT) approach. It is found that Ia can have 39 different possible tautomeric forms each in the R- and S-enantiomeric configurations, out of which the most stable tautomer would involve the deprotonation of the N1 atom and protonation of the N3 atom. The most stable tautomer of Ia can adopt three different rotameric conformations (Ia1, Ia2, and Ia3) of comparable stabilities. It is further revealed that these rotamers of Ia can interact with different bases of DNA in 88 different possible ways. However, the interaction of G with Ia3 in both the anti- and syn-conformations would be the most stable. It is further revealed that the base pairing patterns, binding energies and electronic environments of anti-Ia3:G and G:T complexes are similar. In addition to this, it is also found that the binding patterns and energies of Gh1:G and Ia3:G complexes are similar. Based on these results, it is proposed that under physiological conditions, Gh1 may be responsible for the observed G to C mutations in DNA, while in an acidic environment Ia3 may be responsible for the same mutations. This study has led to a solid foundation for further high resolution structural studies to completely unravel Ia-induced mutagenicity in DNA.

The R- and S-diastereoisomeric effects on the guanidinohydantoin-induced mutations in DNA.

Direct and indirect oxidation of guanine in DNA produces guanidinohydantoin (Gh), which is capable of inhibiting replication and inducing mutations during cellular activities. Although some biochemical studies have proposed that Gh may induce exclusively G to C mutations in DNA, other studies have predicted the occurrence of both G to C and G to T mutations. However, the exact reasons for these mutations and the dubious character of Gh in this context are not yet understood. Further, due to insufficient structural data, the electronic structure of Gh that can participate in the formation of different base pair complexes in DNA is also not known. Here, density functional theory (DFT) is used to find the most stable tautomers of Gh at the base level out of a total 112 possible tautomers and their involvement in mutagenesis is investigated by computing structures, energies and electronic properties of different base pair complexes formed between the syn- and anti-conformations of the most stable tautomer of Gh (aGh) and all the bases of DNA. It is found that aGh can coexist in R- and S-diastereoisomeric configurations. Due to the flexible guanidinium group, it can rotate about the N3-C4 bond in each of the above diastereoisomers to form two different stable conformations (aGh1 and aGh2). It is further shown that among the different base pair complexes involving aGh1, syn-aGh1:G is the most stable. This indicates that G would be easily incorporated against syn-aGh1 giving rise to G to C mutations in DNA. However, in the case of aGh2, G is the preferred base pair partner of syn-aGh2 and T is the preferred base pair partner of anti-aGh2. This implies that in addition to G to C mutations, the occurrence of aGh2 in DNA may also induce G to A mutations. Further, due to similarities between base pairing patterns and binding energies of syn-aGh1:A and syn-aGh2:A complexes with those of the T:A complex, DNA polymerases may mistakenly insert A opposite aGh1 or aGh2 by misrecognizing the latter as T. This may ultimately induce G to T mutations in DNA. However, as the constraints imposed by the DNA backbones and stacking interactions were not considered here, the possibilities of aGh2:T and aGh2:A base pairs need to be investigated experimentally. It is further found that the mutagenic character of aGh in the R- and S-diastereoisomeric forms is similar.

Polyradicals of polycyclic aromatic hydrocarbons as finite size models of graphene: highly open-shell nature, symmetry breaking, and enhanced-edge electron density.

Properties of polyradicals (all CH bonds dissociated) of benzene and certain polycyclic aromatic hydrocarbons (PAHs) were studied. The occurrence of symmetry breaking is revealed in going from benzene and the PAHs to their polyradicals. Polyradicals would serve as finite size models of graphene with unpassivated edges in a more realistic way than the PAHs. Monoradicals (one CH bond dissociated) of benzene and all of the PAHs and higher radicals of benzene and one PAH (two to all CH bonds successively dissociated) were also investigated. Reliability of the methodology employed was ascertained by a comparison of our calculated single CH bond dissociation energy of benzene with the available previous experimental and theoretical results. Besides ground-state geometries, the aspects studied include single and successive CH bond dissociation energies, and electron density, molecular electrostatic potential (MEP), and spin density distributions. All of the monoradicals studied were found to have doublet spin multiplicity, while polyradicals with 4 to 16 rings and zigzag or mixed-type edges were found to have spin multiplicities varying from triplet to 11et. Bond lengths and bond angles of rings located at the edges are appreciably modified in going from PAHs to polyradicals. Electron density and spin density are found to be enhanced at the edges of monoradicals and polyradicals of PAHs, as found previously for PAHs. However, MEP maps of polyradicals have significantly different features from those of monoradicals and PAHs, which has a significant implication.

Biosorption of As(V) from aqueous solutions by living cells of Bacillus cereus.

In this work, the biosorption of As(V) from aqueous solutions by living cells of Bacillus cereus has been reported. The batch biosorption experiments were conducted with respect to biosorbent dosage 0.5 to 15 g/L, pH 2 to 9, contact time 5 to 90 min, initial concentration 1 to 10 mg/L and temperature 10 to 40 °C. The maximum biosorption capacity of B. cereus for As(V) was found to be 30.04 at pH 7.0, at optimum conditions of contact time of 30 min, biomass dosage of 6 g/L, and temperature of 30 ± 2 °C. Biosorption data were fitted to linearly transformed Langmuir isotherms with R(2) (correlation coefficient) >0.99. Bacillus cereus cell surface was characterized using AFM and FTIR. The metal ions were desorbed from B. cereus using both 1 M HCl and 1 M HNO(3). The pseudo-second-order model was successfully applied to predict the rate constant of biosorption.

Scavenging mechanism of curcumin toward the hydroxyl radical: a theoretical study of reactions producing ferulic acid and vanillin.

Curcumin is known to be an antioxidant, as it can scavenge free radicals from biological media. A sequence of H-abstraction and addition reactions involving up to eight OH radicals and curcumin or its degradation products leading to the formation of two other antioxidants, namely, ferulic acid and vanillin, was studied. Single electron transfer from curcumin to an OH radical was also studied. All relevant extrema on the potential energy surfaces were located by optimizing geometries of the reactant and product complexes, as well as those of the transition states, at the BHandHLYP/6-31G(d,p) level of density functional theory in the gas phase. Single-point energy calculations were also performed in the gas phase at the BHandHLYP/aug-cc-pVDZ and B3LYP/aug-cc-pVDZ levels of theory. Solvent effects in aqueous media were treated by performing single-point energy calculations at all of the above-mentioned levels of theory employing the polarizable continuum model and the geometries optimized at the BHandHLYP/6-31G(d,p) level in the gas phase. A few reaction steps were also studied by geometry optimization in aqueous media, and the thus-obtained Gibbs free energy barriers were similar to those obtained by corresponding single-point energy calculations. Our calculations show that the hydrogen atom of the OH group attached to the phenol moiety of curcumin would be most efficiently abstracted by an OH radical, in agreement with experimental observations. Further, our study shows that OH addition would be most favored at the C10 site of the heptadiene chain. It was found that curcumin can serve as an effective antioxidant.

Effect of pre-freeze addition of cysteine hydrochloride and reduced glutathione in semen of crossbred Jersey bulls on sperm parameters and conception rates.

This study was aimed to assess the effect of pre-freeze addition of cysteine hydrochloride and glutathione (GSH) on post-thaw sperm functional parameters and field fertility. The experimental bulls (n = 6) aged 4-6 years were used for this study. A total of 36 ejaculates (six ejaculates per bull) were collected and divided into three groups, group I (control), group II (5 mm cysteine hydrochloride) and group III (5 mm GSH). The extended semen samples with and without additives were filled in mini straw using automatic filling and sealing machine and cryopreserved in liquid nitrogen. Post-freeze seminal traits were recorded after thawing at 37°C for 30 s. The curvilinear velocity (VCL) and amplitude of lateral head displacement values were significantly (p < 0.05) higher in GSH than the cysteine and control groups. Post-thaw plasmalemma integrity was significantly (p < 0.01) higher in GSH group when compared to cysteine and control groups. The loss of acrosomal integrity was significantly (p < 0.01) lower in GSH than in cysteine and control groups. Addition of GSH non-significantly (p = 0.1) improved mitochondrial membrane potential (MMP) (per cent) than control group. This study indicates that the addition of cysteine and GSH suggestive (p = 0.08) of reducing lipid peroxide levels. The conception rate (%) in glutathione group was significantly (p < 0.05) higher than that in cysteine (68 vs 58) and control (49) groups. The post-thaw sperm progressive forward motility (r = 0.4) had moderate, but no significant correlation with conception rate. However, post-thaw straight-line velocity (r = 0.7), loss of acrosomal integrity (r = -0.8) and MMP (r = 0.9) had significant (p < 0.05) correlation with field fertility. This study indicates that the use of glutathione as semen additive may be used for improving post-thaw semen quality and overall augmentation of pregnancy in cows.

Coping strategies and social support as moderators of occupational stress and mental health link among police personnel.

BACKGROUND: The occupation of police personnel is known to be enormously stressful. The occupational stress research shows that coping strategies and social support have a buffering effect on stress and a protective role on mental health. The present research study was set out to investigate the role of coping strategies and social support as moderating factors of the relationship between occupational stress and mental health in police personnel of Uttar Pradesh in terms of their ranking. METHODOLOGY: The present cross-sectional study was conducted using standardized questionnaires. The sample comprised a total of 300 male police personnel. Hundred constables, 100 inspectors, and 100 officers were incidentally selected from six districts of Uttar: Lucknow, Varanasi, Meerut, Raebareli, Ghaziabad, and Noida. RESULTS: Study results showed coping strategies and social support to have a moderating effect on the relationship between stress and mental health in inspectors and officers but failed to show such relationship in constables. CONCLUSION: There is the implication for the training in terms of teaching-specific active and adaptive coping strategies for the management of workplace-related stress and promotion of health and well-being in the police personnel.

Binding of urea and thiourea with a barbiturate derivative: experimental and theoretical approach.

A barbiturate derivative [1,5-dihydro-5-[5-pyrimidine-2,4(1H,3H)-dionyl]-2H-chromeno[2,3-d] pyrimidine-2,4(3H)-dione)] (L1) possesses functionalities complementary to amide and thioamide. Hence its binding with urea and thiourea, is monitored using UV-vis and fluorescence titrations as well as isothermal titration calorimetry (ITC) study. Theoretical studies on hydrogen-bonded complexes of L1-urea and L1-thiourea in the gas phase, aqueous, and DMSO medium are carried out using density functional theory (DFT) at the B3LYP/6-31G** level. The theoretical calculations support the experimental results.

Environmental quality assessment studies of coal handling on peripheral land near Kanika siding, Basundhra-Garjanbahal area of MCL, Sundergarh, Orissa, India.

Coal has been recognized as the most important source of energy generation in India. The present work was undertaken in order to assess the environmental impact of coal handling on peripheral land under near Kanika siding, Orissa, India. The data on suspended particulates in ambient air indicates an additional load of 50.5-108.7 microg/m(3)) to the ambient air due to coal loading which is equivalent to 50 x 365 to 108 x 365 kg/year. However, in the southern side (opposite to siding) covering the crop fields, the dust accumulation was maximum, i.e., 0.021 to 0.035 mg/cm(2) area in comparison to 0.001 to 0.021 in the eastern side and 0.001 to 0.029 in western side of the crop fields. The physical and chemical properties of soil was also assessed. The results reveal that the coal loading has definite negative impact on the peripheral land near the site.

Mapping genomic regions of moisture deficit stress tolerance using backcross inbred lines in wheat (Triticum aestivum L.).

Identification of markers associated with major physiological and yield component traits under moisture deficit stress conditions in preferred donor lines paves the way for marker-assisted selection (MAS). In the present study, a set of 183 backcross inbred lines (BILs) derived from the cross HD2733/2*C306 were genotyped using 35K Axiom genotyping array and SSR markers. The multi-trait, multi-location field phenotyping of BILs was done at three locations covering two major wheat growing zones of India, north-western plains zone (NWPZ) and central zone (CZ) under varying moisture regimes. A linkage map was constructed using 705 SNPs and 86 SSR polymorphic markers. A total of 43 genomic regions and QTL × QTL epistatic interactions were identified for 14 physiological and yield component traits, including NDVI, chlorophyll content, CT, CL, PH, GWPS, TGW and GY. Chromosomes 2A, 5D, 5A and 4B harbors greater number of QTLs for these traits. Seven Stable QTLs were identified across environment for DH (QDh.iari_6D), GWPS (QGWPS.iari_5B), PH (QPh.iari_4B-2, QPh.iari_4B-3) and NDVI (QNdvi1.iari_5D, QNdvi3.iari_5A). Nine genomic regions identified carrying major QTLs for CL, NDVI, RWC, FLA, PH, TGW and biomass explaining 10.32-28.35% of the phenotypic variance. The co-segregation of QTLs of physiological traits with yield component traits indicate the pleiotropic effects and their usefulness in the breeding programme. Our findings will be useful in dissecting genetic nature and marker-assisted selection for moisture deficit stress tolerance in wheat.

Mutagenic product formation due to reaction of guanine radical cation with nitrogen dioxide.

The reaction between nitrogen dioxide (NO2*) and guanine radical cation (G*+) yielding the mutagenic product 8-nitroguanine radical cation (8-nitroG*+) was studied in the presence of one or two water molecules. All the relevant extrema on the potential energy surface were located by fully optimizing the geometries of the reactant, intermediate, and product complexes as well as transition states at the B3LYP/6-31G**, B3PW91/6-31G**, B3LYP/AUG-cc-pVDZ, and B3PW91/AUG-cc-pVDZ levels of density functional theory in gas phase. Zero point energy-corrected total energies and the corresponding Gibbs free energies at 298.15 K were obtained at the B3LYP/AUG-cc-pVDZ and B3PW91/AUG-cc-pVDZ levels of theory. Single point energy calculations were performed for all the optimized geometries at the MP2/AUG-cc-pVDZ level of theory in gas phase. Solvent effect of aqueous media was treated by performing single point energy calculations at the B3LYP/ AUG-cc-pVDZ, B3PW91/AUG-cc-pVDZ, and MP2/AUG-cc-pVDZ levels of theory employing the polarizable continuum model. The solvent effect of bulk water as well as that due to specific water molecules were found to play very important roles in lowering down many barrier energies appreciably. It is found that 8-nitroG*+ complexed with water molecules would be formed due to the reaction of G*+ with NO2* in aqueous media. The possible biological significance of the results obtained has been examined by studying binding energies of several normal and abnormal base pairs.

Mechanism of scavenging action of N-acetylcysteine for the OH radical: a quantum computational study.

N-Acetylcysteine, a precursor of glutathione, is an effective antioxidant present in biological systems. The mechanism of scavenging action of N-acetylcysteine for the OH radical was studied theoretically. For this purpose, reactions of the OH radical at the different sites of N-acetylcysteine were investigated. All the relevant extrema on the potential energy surfaces were located by optimizing the geometries of the reactant and product complexes as well as those of the transition states at the BHandHLYP/AUG-cc-pVDZ level of density functional theory in the gas phase. The solvent effect of aqueous media was treated by performing single point energy calculations at the BHandHLYP/AUG-cc-pVDZ and MP2/AUG-cc-pVDZ levels of theory employing the polarizable continuum model. Correction for basis set superposition error (BSSE) was made by the counterpoise method. Rate constants for all the reaction mechanisms were calculated including the tunneling contributions. Our calculations show that the hydrogen atom of the SH group of N-acetylcysteine would be most efficiently abstracted by the OH group, which is in agreement with experimental observations.

Protection against radiation-induced DNA damage by amino acids: a DFT study.

Direct and indirect radiation-induced DNA damage is associated with the formation of radical cations (G(+)) and radical anions (G(-)) of guanine, respectively. Deprotonation of G(+) and dehydrogenation of G(-) generate guanine neutral radical [G(-H)] and guanine anion [G(-H)(-)], respectively. These products are of worrisome concern, as they are involved in reactions that are related to certain lethal diseases. It has been observed that guanyl radicals can be repaired by amino acids having strong reducing properties that are believed to be the residues of DNA-bound proteins such as histones. As a result, repair of G(-H) and G(-H)(-) by the amino acids cysteine and tyrosine has been studied here in detail by density functional theory in both the gas phase and aqueous medium using the polarized continuum and Onsager solvation models of self-consistent reaction field theory. Solvation in aqueous medium using three explicit water molecules was also studied. Four equivalent tautomers of each the above radical and anion that will be formed through proton and hydrogen loss from all of the nitrogen centers of guanine radical cation and guanine radical anion, respectively, were considered in the present study. It was found that in both the gas phase and aqueous medium, normal guanine can be retrieved from its radical-damaged form by a hydrogen-atom-transfer (HT) mechanism. Normal guanine can also be retrieved from its anionic damaged form in both the gas phase and aqueous medium through a two-electron-coupled proton-transfer (TECPT) mechanism or a one-step hydrogen-atom- and electron-transfer (OSHET) mechanism. The present results are discussed in light of the experimental findings.

Mining of Indian wheat germplasm collection for adult plant resistance to leaf rust.

Leaf rust (Puccinia triticina Eriks.) is a fungal disease of wheat (Triticum spp.), which causes considerable yield loss. Adult plant resistance (APR) is one of the most sustainable approaches to control leaf rust. In this study, field-testing was carried out across ten different locations, followed by molecular screening, to detect the presence of APR genes, Lr34+, Lr46+, Lr67+ and Lr68 in Indian wheat germplasm. In field screening, 190 wheat accessions were selected from 6,319 accessions based on leaf tip necrosis (LTN), disease severity and the average coefficient of infection. Molecular screening revealed that 73% of the accessions possessed known APR genes either as single or as a combination of two or three genes. The occurrence of increased LTN intensity, decreased leaf rust severity and greater expression of APR genes were more in relatively cooler locations. In 52 lines, although the presence of the APR genes was not detected, it still displayed high levels of resistance. Furthermore, 49 accessions possessing either two or three APR genes were evaluated for stability across locations for grain yield. It emerged that eight accessions had wider adaptability. Resistance based on APR genes, in the background of high yielding cultivars, is expected to provide a high level of race non-specific resistance, which is durable.

Catalytic involvement of CO2 in the mutagenesis caused by reactions of ONOO(-) with guanine.

The catalytic role of CO2 in reactions of ONOO- with guanine, leading to the formation of the mutagenic species 8-oxoguanine (8-oxoG) and 8-nitroguanine anion (8-nitroG-), was investigated by considering the reactions of nitrosoperoxycarbonate anion (ONOOCO2-), an adduct of ONOO- and CO2, with guanine at the B3LYP/6-31G** and B3LYP/AUG-cc-pVDZ levels of density functional theory in gas phase. In order to study bulk solvent effect, single-point energy calculations in aqueous media were carried out for all the species occurring in the reactions at the B3LYP/AUG-cc-pVDZ level of theory, by use of the polarizable continuum model (PCM). Vibrational frequency analysis was performed, and zero-point-energy (ZPE)-corrected total energies and Gibbs free energy changes at 298.15 K were obtained. The genuineness of the calculated transition states was confirmed by visually examining the vibrational modes and also by intrinsic reaction coordinate (IRC) calculations. The reaction between ONOOCO2- and guanine occurring through four different mechanisms leads to the formation of 8-oxoG or its anion, while the reaction between the same two species occurring through a different scheme leads to the formation of 8-nitroG-. It has been shown that the presence of a water molecule along with ONOOCO2- would not affect the reaction mechanisms significantly. Structures of the reactant complexes, product complexes and barrier energies involved in the reactions reveal that CO2 acts as a catalyst for the reaction between ONOO- and guanine. The cause of the catalytic action of CO2 is mainly due to intermediacy of the CO3 radical anion and NO2 radical into which ONOOCO2- is fragmented while reacting with guanine. The relative stabilities of the different product complexes suggest that the mutation caused by ONOO- in the presence of CO2 would mainly involve 8-oxoG.

Reactions of NO(2)Cl with imidazole: a model study for the corresponding reactions of guanine.

Reactions of nitryl chloride NO(2)Cl with imidazole, taken as a model for the guanine base of DNA, leading to the formation of 2-oxoimidazole (2-oxoIm), 2-chloroimidazole (2-chloroIm), and 2-nitroimidazole (2-nitroIm) corresponding to the 8-oxo, 8-chloro, and 8-nitro derivatives of guanine were studied at the B3LYP and MP2 levels of theory employing the 6-31+G* and AUG-cc-pVDZ basis sets in gas phase. In order to incorporate solvent effect, all the B3LYP/AUG-cc-pVDZ optimized structures were solvated in aqueous media at the B3LYP/AUG-cc-pVDZ and MP2/AUG-cc-pVDZ levels of theory using the polarizable continuum model (PCM). A single mechanism was found for the formation of 2-oxoIm, while two and three mechanisms were found for the formation of 2-nitroIm and 2-chloroIm respectively. Each of these reaction mechanisms involves two steps. The calculated barrier energies show that the formation of 2-nitroIm would occur more efficiently than those of 2-oxoIm and 2-chloroIm. It suggests that formation of 8-nitroguanine would be the main DNA lesion caused by NO(2)Cl, which is consistent with experimental observations.

Removal of endosulfan by sal wood charcoal.

The removal efficiency of endosulfan from water by two low cost adsorbents viz. sal wood (Shorea robusta, family-Diptero carpaceae) charcoal and sand along with activated charcoal as the reference was investigated. For the selection of the suitable adsorbent for endosulfan uptake, the maximum adsorption capacity (Q(max)) was chosen as the main parameter. Using linearized forms of equilibrium models like Langmuir, BET, Freundlich, the maximum adsorptive capacities were determined. It was observed that the efficiency for removal of pesticide is higher in activated charcoal with 94% followed by sand 90%. The efficiency of sal wood charcoal is moderately high with 87% which can be regenerated after treatment with dilute HCl and HNO(3). Though the efficiency of sand is better than sal wood charcoal, it cannot be regenerated.

Analogues of P and Z as Efficient Artificially Expanded Genetic Information System.

To artificially expand the genetic information system and to realize artificial life, it is necessary to discover new functional DNA bases that can form stable duplex DNA and participate in error-free replication. It is recently proposed that the 2-amino-imidazo[1,2- a]-1,3,5-triazin-4(8 H)one (P) and 6-amino-5-nitro-2(1 H)-pyridone (Z) would form a base pair complex, which is more stable than that of the normal G-C base pair and would produce an unperturbed duplex DNA. Here, by using quantum chemical calculations in aqueous medium, it is shown that the P and Z molecules can be modified with the help of electron-withdrawing and -donating substituents mainly found in B-DNA to generate new bases that can produce even more stable base pairs. Among the various bases studied, P3, P4, Z3, and Z5 are found to produce base pairs, which are about 2-15 kcal/mol more stable than the P-Z base pair. It is further shown that these base pairs can be stacked onto the G-C and A-T base pairs to produce stable dimers. The consecutive stacking of these base pairs is found to yield even more stable dimers. The influence of charge penetration effects and backbone atoms in stabilizing these dimers are also discussed. It is thus proposed that the P3, P4, Z3, and Z5 would form promiscuous artificial genetic information system and can be used for different biological applications. However, the evaluations of the dynamical effects of these bases in DNA-containing several nucleotides and the efficacy of DNA polymerases to replicate these bases would provide more insights.

Interaction of guanine, its anions, and radicals with lysine in different charge states.

Modification in DNA or protein structure can severely affect DNA-protein interactions and the functioning of biological systems. Some new insights into radiation-induced effects of guanine-lysine interactions have been obtained here by theoretical investigations. Geometries of zwitterionic and non-zwitterionic lysine in different charge states (neutral, radical cation, and protonated cation) were optimized employing the B3LYP/6-31G** and B3LYP/AUG-cc-pVDZ levels of hybrid density functional theory (DFT) and using the second-order Møller-Plesset perturbation theory along with the 6-31G** basis set. In the case of neutral lysine in the gas phase, no zwitterionic structure was obtained. The non-zwitterionic structures of lysine in radical and protonated cationic forms are appreciably more stable than the corresponding zwitterionic structures in the gas phase as obtained at all levels of theory employed here. Binding of guanine and different dehydrogenated guanine radicals with lysine in different charge states was studied at the B3LYP/6-31G** level of DFT. When guanine makes a complex with the lysine radical cation, large amounts of spin and positive charge densities are transferred from the lysine radical cation to guanine and the guanine is thus converted from its normal form to the radical cationic form. Complexation of the lysine radical cation with the H1-hydrogen-abstracted guanine radical leads to CO2 liberation and proton transfer from lysine. These results are compared with the available experimental ones.