Macromolecular chemistry: An introduction

Selvaraj, Chandrabose; Dinesh, Dhurvas Chandrasekaran; Rajaram, Kaushik; Sundaresan, Srivignesh

doi:10.1016/b978-0-323-90995-2.00007-2

Cited by 4 publications

(1 citation statement)

References 246 publications

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“…Hydrogen bonding concept is used in the determining properties and functioning of both natural and artificial, advanced materials and also living organisms [8, 9], in the last case, these interactions are essential for maintaining the spatial arrangements of macromolecules, such as proteins and nucleic acids [10–13]. Additionally, the hydrogen bonds are a key element of molecular recognition and are involved in physicochemical phenomena such as ribonucleic acid (RNA) and deoxyribonucleic acid (DNA) base pairing [14, 15], enzymatic catalysis [15–17], host‐guest complex formation [18, 19], and solid‐state stabilization [20, 21]. In addition to increase the interaction between or within molecules, formation hydrogen bonds can influence the reactivity of different active sites or can even change the reaction mechanism of chemical or biochemical processes.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods

Soriano‐Agueda

2024

Int J of Quantum Chemistry

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Hydrogen bonds are of vital importance in the formation and functioning of organic molecules; their characterization with theoretical tools is a task of interest to the scientific community. Commonly, the electron density at the bond critical point is used to characterize bonds. Generally this task is carried out with ab‐initio methods. In this study, the PM7 semi‐empirical approach is used to evaluate the quality of the electron density at the hydrogen bond critical points (HBCPs). The research takes into account dimers, nucleobases and alpha‐helices bonded by hydrogen bonds: , , , , , and . The results are compared with second‐order Møller–Plesset and density functional theory. The findings demonstrate that PM7 is a reliable alternative for explaining the electron density trends at the HBCPs.

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Section: Introductionmentioning

confidence: 99%

Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods

Soriano‐Agueda

2024

Int J of Quantum Chemistry

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Novel slow‐release fertilizer promotes nitrogen circularity while increasing soil organic carbon

Coyle,

Adjei,

Abbasi

et al. 2024

Soil Science Soc of Amer J

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In the coming decades, humanity will be faced with the challenge of feeding 10 billion people and managing large quantities of solid waste. These issues can be mitigated through the development of sustainable fertilizers derived from electrochemically treated waste activated sludge (EWAS) while promoting a nitrogen circular economy. This study investigates the chemistry of novel fertilizers to determine their soil chemistry dynamics. Untreated waste activated sludge (WAS) and EWAS were applied to agricultural soil and potting mix, and the resulting aqueous samples were analyzed to determine nitrogen, phosphorous, and carbon adsorption and release behaviors. Commercial inorganic and natural fertilizers were utilized for comparison. X‐ray absorption near‐edge structure (XANES) spectroscopy was performed to characterize phosphorus speciation in the solid phases of the novel fertilizers. Results indicated that EWAS and WAS samples released less total nitrogen into solution than other treatments due to organoclay complexation of biomolecules and differences in the solubility of the nitrogen species. Samples containing EWAS released a higher percentage of organic and total carbon into solution due to the deformation of the structure of the organic matter by the alkaline electrolysis process. The solubility of nitrogen and carbon in the sludge was increased by the electrochemical process. Solid‐phase phosphorus in EWAS and WAS was characterized by XANES analysis as struvite, which is a novel finding with important implications for P management from waste‐based fertilizers. These experimental findings suggest that fertilizing with EWAS could result in reduced runoff and improved soil health while facilitating domestic fertilizer production.

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Degradation pathways of amino acids during thermal utilization of biomass: a review

Al-Kwradi,

Altarawneh

2024

Front. Chem. Sci. Eng.

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Macromolecular chemistry: An introduction

Cited by 4 publications

References 246 publications

Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods

Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods

Novel slow‐release fertilizer promotes nitrogen circularity while increasing soil organic carbon

Degradation pathways of amino acids during thermal utilization of biomass: a review

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