Three-dimensional structure model for benzenoid musks expressed by computer graphics

Structures of two strong benzenoid musks, 3,5-di-t-butylacetophenoneand 5-acetyl-1,1,2,3,3,6-hexamethylindan, were optimized byPM3 (MOPAC Ver.5). Based on these structures, a three-dimensionalstructure model for benzenoid musks was constructed. This structuremodel is expressed as a box of about 12 x 11 x 6.5 Å Whichcircumscribes musk molecules. The box contains (i) a smallerbox of about 7.5 x 11 x 6.5 Å Which approximates the hydrophobicbulky moiety of benzenoid musks; (ii) the position of the benzenering located in the smaller box; and (iii) the binding pointon an odor receptor assumed to interact with an oxygen atomof the functional group in the benzenoid musks. The validity of this structure model was examined by applyingit to structures of 40 benzenoids (30 musks and 10 odorless).As a result, 37 out of the 40 benzenoids were correctly discriminatedto be odoriferous or odorless by referring them to this structuremodel.     

曲美他嗪联合麝香保心丸治疗急性心肌梗死的效果研究

目的:研究曲美他嗪(TMZ)联合麝香保心丸(HMP)治疗急性心肌梗死的效果。方法:采用40只雄性C57BL/6J小鼠构建急性心肌梗死模型,随机分成4组,每组10只:(1)假手术组;(2)心肌梗死组;(3)心肌梗死+TMZ组(TMZ 20 mg/Kg灌胃,3次/天);(4)心肌梗死+TMZ+HMP组(HMP 14 mg/Kg灌胃,3次/天)。2周后行心脏超声检查采集心功能参数左室舒张末内径、左室收缩末内径、室间隔厚度、舒张末期左室后壁厚度及射血分数。同时,对心脏标本行形态学分析。结果:TMZ+HMP组左室舒张末内径、左室收缩末内径、舒张末期左室后壁厚度及射血分数均优于于TMZ组(均为P0.05)。心肌组织HE及PSR染色显示TMZ+HMP组心肌细胞坏死及纤维化程度较其余组低。结论:曲美他嗪联合麝香保心丸治疗急性心肌梗死的效果较单用曲美他嗪更加显著。     

The essential differences in microbial and chemical components of musk of different qualities secreted by captive male forest musk deer (Moschus berezovskii)

Musk is a precious raw material and ingredient in Chinese traditional medicine. The production of unqualified musk has become a puzzling problem in forest musk deer (FMD) breeding. However, what the essential differences between so-called unqualified musk and mature qualified musk have not yet been elucidated. In this study, 12 musk samples were collected and separated into two groups according to their external properties. One group is white or black cream-like secretion with sour or unpleasant odour (MM); the other group is brown or blackish brown solid secretion with pleasant fragrance (DM). Next-generation sequencing and gas chromatography-mass spectrometry were used to explore the essential differences between the DM and MM groups in microbial and chemical compositions. The results indicate that the DM group has more heterogenous microbial structure but simpler relationships among microbial communities. LEfSe analysis showed that 14 taxa at the genus level could be used to distinguish the DM and MM groups and Bacillus, Paracoccus, tenoteophomonas, Mycobacterium and Leuconostoc were more abundant in the DM group (P < 0.05). In addition, six compounds were identified to specifically distinguish the DM and MM groups under the OPLS-DA model. PICRUSt analysis revealed that metabolic pathways such as carbohydrate metabolism, nucleotide metabolism, energy metabolism, transport and catabolism were enriched in the DM group. All these findings of differences in microbiota and chemical compositions would provide potential clues for MM quality improvement and new evidence for the scientific establishment of a quality evaluation standard for musk.     

Population Structure of Wild Musk Shrews (Suncus murinus) in Asia Based on Mitochondrial DNA Variation, with Research in Cambodia and Bhutan

The musk shrew (Suncus murinus) is a small mammalian species belonging to Insectivora. It is widely distributed in Asia. To identify the genetic relationship among wild musk shrew populations and examine its migration route, we investigated the populations of Cambodia and Bhutan by using mitochondrial DNA restriction fragment length polymorphism analysis and compared them with other Asian populations previously described. Four haplotypes were detected in Cambodia and eight in Bhutan. A total of 53 haplotypes were detected in Asia and were classified largely into two groups, the Continental and Island types, based on a minimum spanning network. From the distribution of mtDNA types in wild musk shrews, three major population groups are identified in Asia: South Asia, Southeast Asia, and Malay. It is suggested that the Malay population group was a mix of South and Southeast Asian population groups and that this was a contact area of the two groups. In addition, other contact areas between the South and Southeast Asian groups exist in Myanmar, but unlike the Malay, the Myanmar area was the border of these groups.     

Ionization of clusters. III. Evaluation of interaction parameters from binding data

Interactions between ionizable groups on the same molecule modulate the binding of protons to an extent where the binding constants may be shifted by orders of magnitude. The first two papers of this series discussed the family of carboxylic acids, pairwise isotropic interactions, and evaluation of single site binding data. This paper presents an extended group of hypothetical binding isotherms. Procedures are illustrated for deriving interaction parameters from binding data. The interaction parameters for about 25 representative compounds with two and three interacting ionizable groups are evaluated and tabulated.     

甘肃兴隆山养麝场圈养高山麝的产香量

兴隆山国家级自然保护区(E103。50'-104。10',N35。38-58')位于甘肃省兰州市榆中县境内,是高山麝(Moschus chrysogaster)的自然分布区.     

成年与未成年圈养林麝粪便菌群多样性的比较

本研究旨在解析林麝未成年组(n=10)和成年组(n=10)之间的菌群差异。收集林麝新鲜粪便,提取总DNA,利用带标签的通用引物扩增16S rRNA V3-V4区,使用Illumina Miseq 300PE测序平台对扩增产物进行Miseq双端测序,通过计算ACE和Shannon等多样性指数,以及微生物组成成分和距离聚类分析,揭示组成结构与差异。α多样性分析表明成年组微生物的多样性丰富度略高于未成年组,但不存在显著差异性(P>0.05)。未成年组和成年组均是厚壁菌门(Firmicutes)、拟杆菌门(Bacteroidetes)和变形菌门(Proteobacteria)所占的比例较高。成年组Proteobacteria比例明显高,而Firmicutes比例较低。LEfSe分析表明有12个显著差异的细菌分类。两组在Firmicutes门存在显著差异的细菌较少,而在Proteobacteria上存在显著差异的细菌较多。本研究证明在不同年龄阶段,微生物的丰富度和多样性不存在显著差异,细菌的组成成分也相同。但是在组成比例上存在差异性,间接反映了不同年龄阶段营养吸收的不同需求。     

麝香中脂溶性成分的提取与麝香质量鉴别

采用薄层层析和气相色谱技术,比较了超声、冷浸和热回流3种提取方法及乙醇、乙醚、正己烷3种溶剂对麝香提取液中脂溶性成分及麝香酮含量的影响。结果显示用不同提取方法和溶剂提取的麝香脂溶性成分经薄层层析后均呈现6或7个斑点。而经气相色谱分析,其结果却有较大的差别,麝香乙醚提取液的色谱峰较乙醇和正己烷更丰富,超声提取的效果较冷缦和热回流好,色谱峰达到20个。麝香酮的定量分析显示冷浸法提取的麝香酮含量高于超声和热回流提取。通过薄层层析和气相色谱分析,对10个麝香样品的质量进行了鉴别。     

Linking the Use of Scented Consumer Products to Consumer Exposure to Polycyclic Musk Fragrances

Synthetic organic chemicals are ingredients of many consumer products used daily. Consumers are therefore constantly exposed to a broad spectrum of synthetic organic chemicals, which might be irritants or have other effects harmful to human health, in the consumption phase of the product life cycle. Relevant examples are the polycyclic musk fragrances that make up an important group of synthetic fragrance compounds. Using a scenario-based approach, we simulate various product uses and calculate the resulting dermal exposure to the musk fragrances 6-acetyl-1,1,2,4,4,7-hexamethyltetraline and hexahydro-hexamethyl-cyclopenta (γ)-2-benzopyran for a wide spectrum of consumer products. The product spectrum was selected from scented personal care products and household cleansing agents. Exposure to musk fragrances is calculated with two dermal exposure models, and results are presented for female and male European consumers. The variability of required inputs is accounted for by assuming minimal, average or median, and maximal values for important model parameters. The study identifies a limited number of types of scented consumer products as significantly contributing to daily dermal consumer exposure to musk fragrances. Exposure levels resulting from the simultaneous use of these products and the number of exposed consumers are investigated.     

Phylogeography of Wild Musk Shrew (Suncus Murinus) Populations in Asia Based on Blood Protein/Enzyme Variation

The musk shrew (Suncus murinus) is an insectivore species that inhabits tropical and subtropical Asia widely. To clarify the genetic relationship among wild musk shrew populations, we examined the electrophoretic variants of biparentally inherited genetic markers at 10 loci coding for eight blood proteins/enzymes in a total of 639 animals and compared the results obtained from the mitochondrial DNA data. The principal-component analysis performed using the allele frequency data revealed that the 17 populations could be divided into two major groups, a South Asian group and a Southeast Asian group that includes several island populations bound by Myanmar. The degrees of genetic divergence among populations were higher within the Southeast Asian group than within the South Asian group. This finding was incongruent with the mtDNA diversity. Analysis conducted at the individual level showed that a shrew from the central region in Myanmar that carries a South Asian type of mtDNA showed the electrophoretic variants specific to the Southeast Asian group, suggesting that this region is a contact zone between the two major groups.     

Antithrombotic effects of odorless garlic powder both in vitro and in vivo

Antithrombotic activities of odorless garlic powder were demonstrated in blood fibrinolytic and coagulation systems. Though the odorless garlic preparation did not influence tissue-type plasminogen activator (t-PA) or its inhibitor secretions from human umbilical vein endothelial cells, it enhanced plasmin generation by t-PA on fibrin film and in chromogenic assays by 1.8-fold and 8.7-fold respectively. The coagulation system was considerably reduced after the administration of the garlic in a rat in situ loop model, indicating that increased levels of thrombin-antithrombin III (TAT) complex in the control group were significantly reduced to normal (sham) in the garlic group (p<0.05), which was associated with decreasing tendencies towards prolonged or increased values of coagulation parameters in the control group. These findings suggest that odorless garlic not only activates fibrinolytic activity by accelerating t-PA-mediated plasminogen activation, but also suppresses the coagulation system by downregulating thrombin formation, suggesting a beneficial role in preventing pathological thrombus formation in such cardiovascular disorders.     

圈养马麝非繁殖季节胆量水平及与麝香分泌和繁殖成效的关系

2017年7月1日至8月31日,采用焦点取样和连续记录法,对甘肃兴隆山自然保护区马麝保育中心29头圈养马麝进行了行为取样,记录其行为发生持续时间及发生位点,根据动物在各位点对人为胁迫的应激程度定义其胆量水平,结合个体在各位点所占时间比例确定马麝个体的胆量值,分析性别、年龄等因素对其胆量的影响及胆量与麝香分泌和繁殖成效的关系.结果表明: 上等体况马麝胆量(1.731±0.347)显著大于下等体况(0.915±0.789);雄麝胆量(1.035±0.120)显著小于雌麝(1.901±0.391);亚成体马麝组的胆量(1.450±0.463)有高于成体组(1.093±0.321)和老龄组(1.430±0.189)的趋势,但差异未达显著水平.区分性别后,年龄组对马麝的胆量值仍无显著影响.独居马麝胆量(0.853±0.326)小于群居马麝(1.397±0.179),但差异不显著,群居个体胆量随密度增加而趋于降低.雄麝胆量与其麝香分泌呈负相关;雌麝胆量与年均产仔数略呈正相关,与空怀率呈显著负相关,即雌麝胆量越高,其空怀率越低.研究结果可为预测圈养马麝的麝香分泌及繁殖成效提供参考,也可为圈养动物个体胆量研究提供思路.     

Interactions between metal ions and carbohydrates: the coordination behavior of neutral erythritol to zinc and europium nitrate

The single crystals of coordinated complexes of neutral erythritol (C4H10O4) with zinc nitrate and europium nitrate were synthesized and studied using FT-IR and single crystal X-ray diffraction analysis. In the structure of Zn(NO3)2.C4H10O4, ZnEN (E denotes erythritol, N represents nitrate), Zn2+ is coordinated to four hydroxyl groups from two erythritol molecules and two oxygen atoms from two nitrates. Two Zn2+ are connected by one erythritol molecule to form Zn(C4H10O4)(NO3)2 chain, and layers formed by above chain pile to produce 3D structures. In the structure of Eu(NO3)3.C4H10O4.C2H5OH, EuEN, Eu3+ is 10-coordinated by six oxygen atoms from three nitrate ions, three hydroxyl groups from one erythritol molecule and one hydroxyl group from ethanol. In the above erythritol complexes, two hydroxyl groups of erythritol coordinate to one metal ion and the other two to another metal ion or erythritol acts as three-hydroxyl groups donor. The OH groups of erythritol act as ligand to coordinate to metal ions on one hand, one the other hand, OH groups form hydrogen bonds network to build three-dimensional structures.     

圈养高山麝种群年龄组的粪便光谱判别

提出了一种利用粪便可见-近红外反射光谱进行圈养高山麝种群年龄组分析的新方法.以FieldSpec~((R))3地物光谱仪采集了145份高山麝粪便(成体麝粪样45份,亚成体和幼体各50份)的光谱数据,将其随机分成训练集(100份)和检验集(45份).光谱经S.Golay平滑和一阶导数处理后以主成分分析法(PCA)降维.以前6个主成分(含原始光谱95.00%的特征信息)作为新变量,利用训练集样本,分别以Fisher线性判别、Bayes逐步判别以及BP-神经网络(BP-ANN)3种方法建立高山麝种群年龄组的分析模型.对检验集45个未知样的预测表明,BP-ANN模型判别的准确率最高,为84.44%.3种方法所建的模型对幼麝粪样判别的准确率最高,可达93.33%.分析发现亚成体粪样具有过渡性质,但幼麝粪样与成体粪样易于判别.结果表明,利用粪便的可见-近红外反射光谱进行高山麝年龄组的快速、非接触性判别是可行的,且PCA 结合BP-ANN判别是一种优选方法.     

Inhibition of classical pathway of complement activation with negative charged derivatives of bisphenol A and bisphenol disulphates

In order to obtain strong inhibitors of classical pathway of complement activation the low weight negative charged compounds have been investigated. On the basis of bisphenol A anionic derivatives with one or two carboxylic, sulphate and phosphate groups the critical role of negative charged groups for complement-inhibiting activity has been established. It was determined that two sulphate or phosphate groups in the molecule provide the most inhibiting effect. At the next stage a set of bisphenol disulphates of varying structures has been synthesized and investigated. Bulky hydrophobic groups (cyclohexyliden, fluorenyliden, anthronyliden) at the central part of the bisphenol molecule it was found to increase complement-inhibiting activity markedly. The replacement of the ortho-positions to the charged group by halogens or alkyl groups (allyl, propyl) increases the inhibiting effect. It was showed by ELISA that several compounds studied interact with C1q, C1r /C1s components of complement. For the set of bisphenol disulphates the QSAR equation with hydrophobic coefficient and electronic parameters has been formulated. Both hydrophobic and electrostatic interactions it was established to have a great significance for the inhibition of classical pathway of complement activation.     

Comparative FISH mapping of human cDNA clones to chromosomes of the musk shrew (Suncus murinus, Insectivora)

Forty-one cDNA clones of human functional genes were newly mapped to chromosomes of the musk shrew (Suncus murinus, Insectivora) by fluorescence in situ hybridization, and a comparative cytogenetic map of 51 genes, including 10 genes reported in our previous study, was constructed between human (HSA) and musk shrew (SMU) chromosomes. In this comparative map, the 51 genes localized to human autosomes, except HSA 8, 16, and 20, were mapped to 15 shrew autosomes, except SMU 4, 16, 17 and 18. Twelve conserved segments were identified between human and shrew chromosomes, and six segments among the musk shrew, human, and mouse. Our results defined the presence of at least one inversion and several interchromosomal rearrangements that occurred during evolution after the two species diverged from a common ancestor. Localization of three major histocompatibility complex (MHC) genes to shrew chromosome 3 suggested that the MHC genes of the musk shrew are located in a cluster on chromosome 3. The cytogenetic map constructed in this study is the first cytogenetic map with many functional genes in insectivore species. This approach provides clues for clarifying the chromosomal evolution in this order.     

Behavioral and physiological responses of forest musk deer (<Emphasis Type="Italic">Moschus berezovskii</Emphasis>) to experimental fawn manipulation

High stress response is an important factor impeding the breeding of wild animals in captivity. Experimental fawn manipulation is considered a suitable approach to reduce the negative effects of behavioral and physiological stress. The forest musk deer (Moschus berezovskii) is classified as “endangered” by the IUCN Red List due to over-exploitation for musk production. Musk is highly valued for its cosmetic and alleged pharmaceutical properties and has stimulated the enthusiasm of captive musk deer breeding in recent years. This study attempts to reduce behavioral and physiological stress responses in juvenile musk deer using experimental fawn manipulation. Habituation started 5 days after birth and lasted until weaning age (90 days). We determined the behavioral stress response at the age of 30, 60, 90, 150, and 360 days by measuring acceptance or rejection of three treatment intensities (i.e., stroking, embracement) and quantified behavioral responses (urination, approaching the investigator). At the same time, physiological stress parameters were established, measuring the fecal glucocorticosteroid metabolite (FGM) concentration. Our results indicate that fawn manipulation initially reduced the behavioral stress, but after termination of treatments, stress symptoms reoccurred. We detected no difference in the FGM concentrations between treatment and control groups, suggesting that the experimental fawn manipulation did not decrease the physiological stress response. This implies that behavioral stress reduction cannot be sustained if the physiological stress remains unaltered. We argue that the socio-positive reactions of musk deer fawns to humans could be phenotypic and that the physiological stress response rather reflects their intrinsic characteristics than a successful manipulation.     

Microsatellite analysis of the genetic structure of captive forest musk deer populations and its implication for conservation

Forest musk deer (Moschus berezovskii) are rare as a result of poaching for musk and habitat loss. Some captive populations of forest musk deer have been established for decades in China. However, little genetic information is available for conservation management. In this paper, genetic variations, population structures, and the genetic bottleneck hypothesis were examined using 11 microsatellite loci from captive populations in Miyalo, Jinfeng and Maerkang in Sichuan Province, China. Estimates of genetic variability revealed substantial genetic variation in the three populations. A total of 142 different alleles were observed in 121 forest musk deer and the effective number of alleles per locus varied from 6.76 to 12.95. The average values of observed heterozygosity, expected heterozygosity, and Nei's expected heterozygosity were 0.552, 0.899 and 0.894 respectively. The overall significant (P < 0.001) deficit of heterozygotes because of inbreeding within breeds amounted to 34.5%. The mean F_ST (P < 0.001) showed that approximately 90.2% of the genetic variation was within populations and 9.8% was across populations. The UPGMA diagram, based on Nei's unbiased genetic distance, indicated that the three populations were differentiated into two different groups and it agreed with their origin and history. Bottleneck tests indicated that all three populations have undergone a population bottleneck, suggesting a small effective population size. Acknowledging that the genetic structure of populations has crucial conservation implications, the present genetic information should be taken into account in management plans for the conservation of captive forest musk deer.     

New alicyclic musks: the fourth generation of musk odorants

Musk odorants are one of the most important classes of fragrances in perfumery because they impart sensuality to perfume-oil compositions. Among the three well-known classes of musks, a new and very exciting generation of musk odorants, the so-called alicyclic musks, was discovered recently, of which Helvetolide (2) and Romandolide (3) are the most popular representatives so far. To find new, structurally related alicyclic musks, we have synthesized a library of 114 unique alicyclic molecules with modified cyclohexyl moieties. The olfactory properties of all compounds were evaluated to identify the structural requirements to be met for a musk odorant.