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1.
Phys Chem Chem Phys ; 26(15): 11306-11310, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38054332

RESUMO

Non-frontier atom exchanges in hydrogen-bonded aromatic dimers can induce significant interaction energy changes (up to 6.5 kcal mol-1). Our quantum-chemical analyses reveal that the relative hydrogen-bond strengths of N-edited guanine-cytosine base pair isosteres, which cannot be explained from the frontier atoms, follow from the charge accumulation in the monomers.

2.
Org Biomol Chem ; 21(41): 8403-8412, 2023 10 25.
Artigo em Inglês | MEDLINE | ID: mdl-37830458

RESUMO

Cooperative effects cause extra stabilization of hydrogen-bonded supramolecular systems. In this work we have designed hydrogen-bonded rosettes derived from a guanine-cytosine Janus-type motif with the aim of finding a monomer that enhances the synergy of supramolecular systems. For this, relativistic dispersion-corrected density functional theory computations have been performed. Our proposal involves a monomer with three hydrogen-bonds pointing in the same direction, which translates into shorter bonds, stronger donor-acceptor interactions, and more attractive electrostatic interactions, thus giving rise to rosettes with strengthened cooperativity. This newly designed rosette has triple the cooperativity found for the naturally occurring guanine quadruplex.


Assuntos
DNA , Hidrogênio , DNA/química , Citosina/química , Ligação de Hidrogênio , Guanina/química
3.
Plant Cell Rep ; 30(3): 249-65, 2011 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-21249369

RESUMO

The eight Millennium Development Goals (MDGs) are international development targets for the year 2015 that aim to achieve relative improvements in the standards of health, socioeconomic status and education in the world's poorest countries. Many of the challenges addressed by the MDGs reflect the direct or indirect consequences of subsistence agriculture in the developing world, and hence, plant biotechnology has an important role to play in helping to achieve MDG targets. In this opinion article, we discuss each of the MDGs in turn, provide examples to show how plant biotechnology may be able to accelerate progress towards the stated MDG objectives, and offer our opinion on the likelihood of such technology being implemented. In combination with other strategies, plant biotechnology can make a contribution towards sustainable development in the future although the extent to which progress can be made in today's political climate depends on how we deal with current barriers to adoption.


Assuntos
Biotecnologia/tendências , Objetivos , Plantas , Síndrome da Imunodeficiência Adquirida/prevenção & controle , Síndrome da Imunodeficiência Adquirida/terapia , Adulto , Criança , Mortalidade da Criança/tendências , Conservação dos Recursos Naturais , Países em Desenvolvimento , Educação , Feminino , Saúde Global , Humanos , Fome , Cooperação Internacional , Malária/prevenção & controle , Malária/terapia , Masculino , Desnutrição/prevenção & controle , Bem-Estar Materno/tendências , Doenças das Plantas/prevenção & controle , Plantas/genética , Plantas Geneticamente Modificadas/genética , Pobreza/prevenção & controle , Tuberculose/prevenção & controle , Tuberculose/terapia , Nações Unidas , Vacinas/biossíntese
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