02024nas a2200157   4500008004100000022001400041245005900055210005900114260011000173300001400283490000700297520143800304100002301742700002101765856008001786       2016                        eng d  a1463-907600aEffect of sequence on the ionization of guanine in DNA0 aEffect of sequence on the ionization of guanine in DNA  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR  a6526-65330 v183 a<p>The accurate estimation of the ionization energies and understanding the nature of the ionized states of the nucleic acid bases (NABs) are crucial to the understanding of the DNA damage mechanism. The vertical ionization energy (VIE) of guanine is the lowest among the NABs and the ionization energies are strongly affected by the environment, such as solvation and characteristics of nearby NABs. Therefore, we investigate the sequence dependence of the VIEs of guanine in B-DNA. We use the equation of motion coupled cluster method for the estimation of ionization potential with single and double excitations (EOM-IP-CCSD) and density functional theory with dispersion corrected omega B97x-D for the estimation of VIEs. A significant amount of non-additivity or cooperativity, directly proportional to charge delocalization, is noticed in the change in VIE due to the interaction with the nearby NABs. While the change in VIE due to base pairing originates predominantly from charge-dipole interactions, stacking between base pairs is a more complicated balance of dispersion and charge-dipole interactions as well as stabilization due to the delocalization of the positive charge. The long range interactions are however dominated by 1/r(3) distance dependence which shows the major role played by charge-dipole interactions. The extent of localization of positive holes on guanine is also estimated for various sequences.</p>1 aChakraborty, Rahul1 aGhosh, Debashree  uhttps://library.ncl.res.in/content/effect-sequence-ionization-guanine-dna-006307nas a2201765   4500008004100000022001400041245009500055210006900150260000900219300001100228490000700239520113100246100001901377700001901396700002101415700002001436700001701456700002601473700002101499700002301520700001501543700002701558700003401585700002101619700002801640700001701668700001701685700002801702700003001730700002401760700001801784700002301802700001901825700002601844700002601870700003301896700001801929700001801947700002401965700003001989700002702019700002702046700001702073700002602090700002102116700002702137700002402164700003502188700002502223700002802248700002702276700002102303700001802324700002002342700002902362700001602391700001802407700002002425700002002445700001902465700002402484700001902508700002302527700002202550700002402572700001702596700002202613700002102635700002302656700002702679700002202706700001902728700001802747700001802765700001802783700002102801700002002822700002002842700002502862700002102887700001902908700002802927700002502955700001802980700001902998700002203017700002903039700002403068700002603092700002203118700001603140700002403156700002803180700002103208700002203229700002603251700001903277700002703296700001903323700002103342700002303363700002203386700001603408700002703424700001803451700001703469700001503486700001903501700002203520700002003542700002103562700002703583700002303610700002403633700001803657700002103675700002403696700002703720700001803747700002503765700002103790700002103811700003203832700002503864700002203889700002203911700001803933700002503951700001903976700002103995700002004016700002004036700002104056700002204077700002904099700002204128700002304150700003204173700002404205700002904229700002304258700001804281700002104299700002504320700001804345700002004363700001804383700002304401856011704424       2021                        eng d  a2050-084X00aInsights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV20 aInsights from a pan India Seroepidemiological survey PhenomeIndi  cAPR   ae665370 v103 a<p>To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95% confidence interval, p value: 2.23, 1.92-2.59, &lt;0.0001), use of public transport (1.79, 1.43-2.24, &lt;0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, &lt;0.0001), and B blood group (1.36, 1.15-1.61, 0.001).</p>1 aNaushin, Salwa1 aSardana, Viren1 aUjjainiya, Rajat1 aBhatheja, Nitin1 aKutum, Rintu1 aBhaskar, Akash, Kumar1 aPradhan, Shalini1 aPrakash, Satyartha1 aKhan, Raju1 aRawat, Birendra, Singh1 aTallapaka, Karthik, Bharadwaj1 aAnumalla, Mahesh1 aChandak, Giriraj, Ratan1 aLahiri, Amit1 aKar, Susanta1 aMulay, Shrikant, Ramesh1 aMugale, Madhav, Nilakanth1 aSrivastava, Mrigank1 aKhan, Shaziya1 aSrivastava, Anjali1 aTomar, Bhawana1 aVeerapandian, Murugan1 aVenkatachalam, Ganesh1 aVijayakumar, Selvamani, Raja1 aAgarwal, Ajay1 aGupta, Dinesh1 aHalami, Prakash, M.1 aPeddha, Muthukumar, Serva1 aSundaram, Gopinath, M.1 aVeeranna, Ravindra, P.1 aPal, Anirban1 aAgarwal, Vinay, Kumar1 aMaurya, Anil, Ku1 aSingh, Ranvijay, Kumar1 aRaman, Ashok, Kumar1 aAnandasadagopan, Suresh, Kumar1 aKaruppanan, Parimala1 aVenkatesan, Subramanian1 aSardana, Harish, Kumar1 aKothari, Anamika1 aJain, Rishabh1 aThakur, Anupama1 aParihar, Devendra, Singh1 aSaifi, Anas1 aKaur, Jasleen1 aKumar, Virendra1 aMishra, Avinash1 aGogeri, Iranna1 aRayasam, Geethavani1 aSingh, Praveen1 aChakraborty, Rahul1 aChaturvedi, Gaura1 aKarunakar, Pinreddy1 aYadav, Rohit1 aSinghmar, Sunanda1 aSingh, Dayanidhi1 aSarkar, Sharmistha1 aBhattacharya, Purbasha1 aAcharya, Sundaram1 aSingh, Vandana1 aVerma, Shweta1 aSoni, Drishti1 aSeth, Surabhi1 aVashisht, Sakshi1 aThakran, Sarita1 aFatima, Firdaus1 aSingh, Akash, Pratap1 aSharma, Akanksha1 aSharma, Babita1 aSubramanian, Manikandan1 aPadwad, Yogendra, S.1 aHallan, Vipin1 aPatial, Vikram1 aSingh, Damanpreet1 aTripude, Narendra, Vijay1 aChakrabarti, Partha1 aMaity, Sujay, Krishna1 aGanguly, Dipyaman1 aSarkar, Jit1 aRamakrishna, Sistla1 aKumar, Balthu, Narender1 aKumar, Kiran, A.1 aGandhi, Sumit, G.1 aJamwal, Piyush, Singh1 aChouhan, Rekha1 aJamwal, Vijay, Lakshmi1 aKapoor, Nitika1 aGhosh, Debashish1 aThakkar, Ghanshyam1 aSubudhi, Umakanta1 aSen, Pradip1 aChaudhury, Saumya, Ray1 aKumar, Rashmi1 aGupta, Pawan1 aTuli, Amit1 aSharma, Deepak1 aRinge, Rajesh, P.1 aAmarnarayan, D.1 aKulkarni, Mahesh1 aShanmugam, Dhansekaran1 aDharne, Mahesh, S.1 aDastager, Sayed, G.1 aJoshi, Rakesh1 aPatil, Amita, P.1 aMahajan, Sachin, N.1 aKhan, Abujunaid, Habib1 aWagh, Vasudev1 aYadav, Rakesh, Kumar1 aKhilari, Ajinkya1 aBhadange, Mayuri1 aChaurasiya, Arvindkumar, H.1 aKulsange, Shabda, E.1 aKhairnar, Krishna1 aParanjape, Shilpa1 aKalita, Jatin1 aSastry, Narahari, G.1 aPhukan, Tridip1 aManna, Prasenjit1 aRomi, Wahengbam1 aBharali, Pankaj1 aOzah, Dibyajyoti1 aSahu, Ravi, Kumar1 aBabu, Elapavalooru, Vssk1 aSukumaran, Rajeev1 aNair, Aiswarya, R.1 aValappil, Prajeesh, Kooloth1 aPuthiyamadam, Anoop1 aVelayudhanpillai, Adarsh1 aChodankar, Kalpana1 aDamare, Samir1 aMadhavi, Yennapu1 aAggarwal, Ved, Varun1 aDahiya, Sumit1 aAgrawal, Anurag1 aDash, Debasis1 aSengupta, Shantanu  uhttps://library.ncl.res.in/content/insights-pan-india-sero-epidemiological-survey-phenome-india-cohort-sars-cov2