WordNet

a symmetrical arrangement of the parts of a thing
relating to simple or elementary organization; "proceed by more and more detailed analysis to the molecular facts of perception"--G.A. Miller
relating to or produced by or consisting of molecules; "molecular structure"; "molecular oxygen"; "molecular weight is the sum of all the atoms in a molecule"

PrepTutorEJDIC

〈C〉形態,構造;調和のとれた配置(配列) / 〈U〉(型・性格などべの)一至,適合,適応《+『to』+『名』》
分子の,分子による

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出典(authority):フリー百科事典『ウィキペディア（Wikipedia）』「2017/03/14 19:59:39」(JST)

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A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together, and can be represented using structural formulae and by molecular models;^{[citation needed]} complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals.^{[citation needed]} Structure determination can be applied to a range of targets from very simple molecules (e.g., diatomic oxygen or nitrogen), to very complex ones (e.g., such as of protein or DNA).

Theories of chemical structure were first developed by August Kekule, Archibald Scott Couper, and Aleksandr Butlerov, among others, from about 1858.^{[citation needed]} These theories were first to state that chemical compounds are not a random cluster of atoms and functional groups, but rather had a definite order defined by the valency of the atoms composing the molecule, giving the molecules a three dimensional structure that could be determined or solved.

In determining structures of chemical compounds, one generally aims to obtain, minimally, the pattern and multiplicity of bonding between all atoms in the molecule; when possible, one seeks the three dimensional spatial coordinates of the atoms in the molecule (or other solid).^{[citation needed]} The methods by which one can elucidate the structure of a molecule include spectroscopies such as nuclear magnetic resonance (proton and carbon-13 NMR), various methods of mass spectrometry (to give overall molecular mass, as well as fragment masses), and x-ray crystallography when applicable.^{[citation needed]} The last technique can produce three-dimensional models at atomic-scale resolution, as long as crystals are available.^{[citation needed]} When a molecule has an unpaired electron spin in a functional group of its structure, ENDOR and electron-spin resonance spectroscopes may also be performed. Techniques such as absorption spectroscopy and the vibrational spectroscopies, infrared and Raman, provide, respectively, important supporting information about the numbers and adjacencies of multiple bonds, and about the types of functional groups (whose internal bonding gives vibrational signatures); further inferential studies that give insight into the contributing electronic structure of molecules include cyclic voltammetry and X-ray photoelectron spectroscopy. These latter techniques become all the more important when the molecules contain metal atoms, and when the crystals required by crystallography or the specific atom types that are required by NMR are unavailable to exploit in the structure determination. Finally, more specialized methods such as electron microscopy are also applicable in some cases.

References

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English Journal

Comparative study on the effects of nystose and fructofuranosyl nystose in the glycation reaction on the antigenicity and conformation of β-lactoglobulin.

Zhong J1, Tu Y1, Liu W1, Luo S2, Liu C3.
Food chemistry.Food Chem.2015 Dec 1;188:658-63. doi: 10.1016/j.foodchem.2015.05.015. Epub 2015 May 6.
Our previous work indicated that the antigenicity of bovine β-lactoglobulin (β-LG) decreased after conjugation with fructo-oligosaccharides (FOS) which was related to its conformational changes. In attempt to unravel further changes of β-LG antigenicity, nystose (GF3) and 1(F)-β-fructofuranosyl
PMID 26041244

Effects of enzymatic hydrolysis on conformational and functional properties of chickpea protein isolate.

Mokni Ghribi A1, Maklouf Gafsi I1, Sila A2, Blecker C3, Danthine S3, Attia H1, Bougatef A4, Besbes S5.
Food chemistry.Food Chem.2015 Nov 15;187:322-30. doi: 10.1016/j.foodchem.2015.04.109. Epub 2015 Apr 24.
The impact of enzymatic hydrolysis by Alcalase on the conformational and functional properties of chickpea protein isolate (CPI) was investigated. The physicochemical, interfacial tension and surface characteristics of CPI and their hydrolysates (CPH) according to the degree of hydrolysis (DH) were
PMID 25977033

Sulfated modification of the polysaccharides from Ganoderma atrum and their antioxidant and immunomodulating activities.

Chen Y1, Zhang H1, Wang Y1, Nie S1, Li C1, Xie M2.
Food chemistry.Food Chem.2015 Nov 1;186:231-8. doi: 10.1016/j.foodchem.2014.10.032. Epub 2014 Nov 7.
In this study, three chemically sulfated polysaccharides (S-PSG) with different degree of sulfate substitution (DS) were derived from Ganoderma atrum. FT-IR and (13)C NMR spectra indicated that the substitution was predominantly on C-6 position compared with the C-2 position. The antioxidant and imm
PMID 25976815

Japanese Journal

穏和な有機触媒がもたらす精密不斉合成

有機合成化学協会誌 = Journal of synthetic organic chemistry, Japan 74(12), 1194-1205, 2016-12
NAID 40021031809

One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations

CrystEngComm 18(41), 7959-7964, 2016-11-07
NAID 120005859711

Molecular structural analysis of hydrated ethylene glycol accounting for the antifreeze effect by using infrared attenuated total reflection spectroscopy