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31.
Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone
T. Stanley Cameron J. Stuart Grossert Chad R. Maheux Idralyn Q. Alarcon Catherine R. Copeland Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(4):266-270
A second polymorph of the hydrochloride salt of the recreational drug ethylone, C12H16NO3+·Cl−, is reported [systematic name: (±)‐2‐ethylammonio‐1‐(3,4‐methylenedioxyphenyl)propane‐1‐one chloride]. This polymorph, denoted form (A), appears in crystallizations performed above 308 K. The originally reported form (B) [Wood et al. (2015). Acta Cryst. C 71 , 32–38] crystallizes preferentially at room temperature. The conformations of the cations in the two forms differ by a 180° rotation about the C—C bond linking the side chain to the aromatic ring. Hydrogen bonding links the cations and anions in both forms into similar extended chains in which any one chain contains only a single enantiomer of the chiral cation, but the packing of the ions is different. In form (A), the aromatic rings of adjacent chains interleave, but pack equally well if neighbouring chains contain the same or opposite enantiomorph of the cation. The consequence of this is then near perfect inversion twinning in the structure. In form (B), neighbouring chains are always inverted, leading to a centrosymmetric space group. The question as to why the polymorphs crystallize at slightly different temperatures has been examined by density functional theory (DFT) and lattice energy calculations and a consideration of packing compactness. The free energy (ΔG) of the crystal lattice for polymorph (A) lies some 52 kJ mol−1 above that of polymorph (B). 相似文献
32.
Incorporation of deoxynucleotide analogues into DNA is important for the expansion of DNA functions. Primer extension reactions are commonly used for the assay of such reaction events. However, current assay protocols generally rely on radiolabeling, fluorescence reporter labeling, or removal of specific deoxynucleotide triphosphate in the reaction mixture. Herein we report on the design of two novel assay protocols that utilize a dideoxynucleotide‐terminated template strand and a phosphorothiolate‐modified deoxynucleotide‐terminated template strand. We designed and synthesized a deoxyuridine triphosphate analogue (dU*TP) containing 2‐bromoisobutyryl group and demonstrated that it could be well recognized by ?29DNA polymerase, E. coli DNA polymerase I Klenow Fragment, Bst DNA polymerase Large Fragment, and E. coli DNA polymerase I Klenow Fragment (exo(), which translated to effective incorporation of dU*TP into DNA. dU*TP was also successfully incorporated into extremely long single‐stranded DNA at high‐density using ?29 DNA polymerase by rolling circle amplification. 相似文献
33.
Random PEGylation usually resulted in product mixtures composed of mono-PEGylated isomers and multi-PEGylated attachments. Generally in PEGylation research, separation of the mono-PEGylated isomers was the prerequisite for finding the optimal PEGylation site. However, when peptides or proteins were PEGylated with polyethylene glycol as large as 40 kDA, the physicochemical properties like hydrophobicity and molecular size of the isomers would become too similar to make the routine separation methods, like RP-HPLC, size-exclusion chromatography, SDS-PAGE and capillary isoelectric focusing invalid. This article presented a useful method of successfully separating exenatide analogue (an incretin for diabetic therapy) isomers mono-PEGylated with 40 kDA polyethylene glycol by cation exchange chromatography, which would be a powerful tool for the PEGylation research. 相似文献
34.
I.IntroductionInordertocontroltheemissionofthestructurebornenoise,itisnecessarytostudythedifferentphysicalcharacteristicqualltitiesonrotationaldegreesoffreedombesidesthoseontranslationaldegreesoffreedom,duetothemulti-degreesoffreedomoftheemission.Amongthemthemomentmobilityisthemostimportalltone.Inrecentyears,adirectexcitationtechniqueforthemomenthasbeendevelopedbyacollaborattheresearchprojectbetweenShalltouUniversityandLiverpoolUniversity.Thernome11tmobilityisobtainedbyusingamomentactuatorwh… 相似文献
35.
The total (p, n) reaction cross section for48Ca has been measured as a function of proton energy in the energy range 1.885 to 5.100 MeV with an overall resolution of ∼
2 keV and in ∼ 5 keV energy steps. The fluctutions in fine resolution data have been analysed to determine the average coherence
width 〈Γ〉. The excitation function averaged over large energy intervals has been analyzed in terms of the optical model. The
isobaric analogue resonances atE
p
∼ 1.95 and 4 MeV have been shape-analyzed to extract the proton partial width and the spectroscopic factorS
n
. A comparison of the gross structures observed in ∼ 55 keV averaged excitation function with the predictions of Izumo’s partial
equilibrium model has also been made. 相似文献
36.
A simple, indirect fluorescence detection method has been developed for detecting specific mono-amino sugars (D-glucosamine, D-galactosamine, D-mannosamine) following chromatographic separation. The eluting amino sugars release L-tryptophan (L-Trp) from a copper-tryptophan complex which is introduced postcolumn. Analyte detection is based on measuring the increase in L-Trp fluorescence, which is quenched when complexed with copper. Two tryptophan analogues, 5-hydroxy-L-tryptophan (5-HTP) and DL-5-methoxytryptophan (5-MTP), were also evaluated as postcolumn reagents. 5-MTP was found to be a suitable alternative to L-Trp for the detection of these mono-amino sugars. Detection limits for D-glucosamine, D-galactosamine, and D-mannosamine are in the range of 0.15-0.30 nmol injected. 相似文献
37.
Synthesis of fluorinated chitin derivatives has been achieved using chitinase from Bacillus sp. as a catalyst. 6'-Fluoro- (1a), 6-fluoro- (1b) and 6,6'-difluoro- (1c) chitobiose oxazoline derivatives were newly prepared as TSAS monomers for chitinase. Ring-opening polyaddition of these monomers proceeded effectively at pH 8.0-9.0 and 30-40 degrees C, giving rise to alternatingly 6-fluorinated chitin derivatives (2a and 2b) from 1a and 1b, and fully 6-fluorinated chitin derivative (2c) from 1c under total control of regioselectivity and stereochemistry. XRD measurements revealed that polysaccharides 2a and 2b had crystalline structures similar to that of alpha-chitin. [reaction: see text] 相似文献
38.
P. G. H. Sandars 《Contemporary Physics》2013,54(2):97-111
The existence of an electric dipole moment (edm) on a fundamental atomic particle would imply violation of both parity and time-reversal invariance. An edm on a neutral particle is detectable through its interaction with an applied electric field. The search for edms on charged particles such as the nucleus or the electron is made difficult by their acceleration in an electric field; conversely, a charged particle in equilibrium must be shielded from the field and the edm interaction will then vanish. A number of ingenious ways around this shielding theorem are discussed, as are the use of polar molecules to amplify the residual edm interactions. A range of atomic and molecular beam and optical pumping experiments are described and the results tabulated. The implications for particle theories beyond the standard model are briefly summarized. 相似文献
39.
The 1HNMR spectrum of 2′,5′-dideoxyadenosylcobalamin, a Coenzyme B12(5′-deoxyadenosylcobalamin) analogue, has been assigned by 2D COSY. Its proton coupling constants have also been measured by J-resolved experiment. The comparison between the analogue and Coenzyme B12 was made. 相似文献
40.
Photo-induced magnetic phase transitions observed in Co—Fe Prussian blue analogues are discussed from a theoretical point of view. In this material a magnetization is induced by visible light, and the induced magnetization can be completely diminished not only by thermal annealing but also by irradiation of infra red light. After a brief survey of relevant experiments, we present an overview of our theoretical approaches to clarify the underlying mechanism of this interesting phenomenon. The ligand field at the Co site is shown to be the most relevant variable controlling spin states. The presence of Fe vacancies and the resultant ligand substitution by water molecules turns to be an essential prerequisite for the photoinduced magnetization. 相似文献