分光光度法测定烟草样品中的钙

在 p H为 8.0的柠檬酸钠 -氢氧化钠缓冲介质中 ,Triton X- 10 0存在下 ,2 - [2 - (4 -甲基喹啉 ) -偶氮 ]- 5 -二乙氨基苯酚 (QADP)与钙显色反应 ,生成 1∶ 1稳定络合物 ,λmax=5 70 nm,ε=5 .12× 10 4L· mol-1·cm-1。钙含量在 0— 2 0 μg/2 5 m L范围内符合比耳定律 ,方法用于烟草中钙含量的测定 ,结果令人满意。     

[Na(18-C-6)]2[Cu(i-mnt)2]的合成与结构分析

研究了18-冠-6与Na2[Cu(i-mnt)2][i-mnt=异丁二腈烯二硫醇阴离子,S2CC(CN)2-2]的反应,得到的配合物[Na(18-C-6)]2[Cu(i-mnt)2](1)通过元素分析、红外光谱、X射线单晶衍射进行了结构分析.配合物为单斜晶系,空间群P2(1)/c.晶体学结构数据a=1.2819(11),b=1.1793(10),c=1.4928(13)nm,β=99.121(16)°,V=2.228(3)nm3,Z=2,Dcaled.=1.369g/cm3,F(000)=958,R1=0.0521,wR2=0.1003.1中的[Cu(i-mnt)2]基团通过配体i-mnt的氮原子与两个[Na(18-C-6)]基团中的钠原子成键,形成稳定的中性配合物.     

离子对电荷转移配合物[NO2Py]x[Co（mnt）2]的合成、光谱和磁性表征

合成了两种新的离子对电荷转移配合物[NO2Py]x[Co(mnt)2],(NO2Py=1-(4-ritrobenzyl)pyridinium;mnt=maleonitriledithiolate;x=1or2时分别对应配合物2和1),并用元素分析和红外光谱、电喷雾质谱和固体反射电子光谱等谱学方法对两种配合物进行了表征.两种配合物在77K到300K范围内的变温磁化率结果表明,配合物2是抗磁性物质,经Pascal′s常数校正后的配合物1的磁化率遵循改进的Bleaney-Bowers方程,实验值和理论计算值能很好的吻合,非线性最小平方二乘法拟合所得的最佳拟合参数为g=2.392,2J/k=5.9K和θ=-4.9K,一致性因子R=7.20×10-9(R=∑(χobsi-χcalcdi)2/∑(χobsi     

[Na(15-C-5)]2[Pd(SCN)4]配合物的合成与结构分析

研究了15-冠-5(15-C-5)与Na2[Pd(SCN)4]的反应,得到的配合物[Na(15-C-5)]2[Pd(SCN)4]通过元素分析、红外光谱、单晶X射线衍射进行了结构分析.该配合物为单斜晶系,空间群C2/c,晶体学数据: a=1.3525(6)nm,b=1.3729(6)nm,c=2.0312(9)nm,β=102.985(6)°,V=3.675(3)nm3,Z=4,F(000)=1696,R1=0.0288,wR2=0.0457.结构分析表明,该配合物由两个[Na(15-C-5)]+配阳离子和一个[Pd(SCN)4]2-配阴离子组成,二者通过Na-N相互作用形成二维网状结构.     

1-(6-羟基-2-嘌呤基)-3-[4-(苯基偶氮)苯基]- 三氮烯分光光度法测定微量镍

在pH=10.97的NaB4O7-NaOH缓冲溶液中,表面活性剂Tween-80存在下,1-(6-羟基-2-嘌呤基)-3-[4-(苯基偶氮)苯基]-三氮烯(HPAPT)与镍的显色反应,形成一种稳定的1∶2红色配合物,其最大吸收波长位于540nm,表观摩尔吸光系数ε540＝2.06×105L·mol-1·cm-1,Ni(Ⅱ)在0-15μg/25mL范围内符合比耳定律.结合萃取分离,应用于人发、大米和油菜中镍的测定,结果令人满意.     

O-(硫杂蒽酮-[2]-基)-氧乙酸的合成、表征及与DNA作用的研究

合成了O-(硫杂蒽酮-[2]-基)-氧乙酸,并用元素分析、IR、1H NMR和13C NMR等方法对其结构进行了表征。用光谱学方法研究了该化合物与ct-DNA的相互作用。结果表明,在pH 7.38的模拟体液条件下,该化合物的紫外-可见吸收光谱随ct-DNA浓度的增加,表现出减色效应,使ct-DNA的圆二色谱正负峰的吸收强度有所降低。该化合物的荧光强度被ct-DNA显著猝灭,猝灭常数为1.25×104 L·mol-1,当ct-DNA的浓度在0～12.0 mg·L-1范围内变化时,荧光猝灭值与ct-DNA的浓度呈现良好的线性关系。该化合物对ct-DNA的检出限为1.63 mg·L-1。据此,O-(硫杂蒽酮-[2]-基)-氧乙酸是一种可用于测定ct-DNA浓度的新试剂,与ct-DNA的作用有嵌入和静电吸引两种方式。     

紫外薄层色谱法分离C15H18N4SO2和C13H19N3SO4

采用紫外薄层色谱法在硅胶GF254板上分离N-{2-[(2,2-二氰基-乙烯基)-甲基-氨基]-丙基}-4-甲基-苯磺酰胺(C_(15)H_(18)N_4SO_2)和4-甲基-N-{2-[甲基-(2-硝基-乙烯基)-氨基]-丙基}-苯磺酰胺(C_(13)H_(19)N_3SO_4)二种有机物的方法。硅胶GF254板由0.27mol/L,pH=7的EDTA溶液修饰,避免了这两种样品与板上少量无机金属离子发生络合作用;展开剂为乙酸乙酯-石油醚-乙醇-37.5%氨水(体积比为10∶10∶1∶1)。C_(15)H_(18)N_4SO_2和C_(13)H_(19)N_3SO_4的Rf值分别为0.64和0.48。用紫外薄层色谱法分离C_(15)H_(18)N_4SO_2和C_(13)H_(19)N_3SO_4具有操作简单,灵敏,准确的特点。     

2, 4, 8, 10-四卤代-6-硫-12-H-双苯并[d,g] [1, 3,,3]-二氧磷杂八环的1H和13C NMR研究

通过2D NMR技术对5个2, 4, 8, 10-四卤代-6-硫-12-H-双苯并[d, g] [1, 3, 2]-二氧磷杂八环的¹H和¹³C NMR信号进行了准确的归属,获得了所有芳环碳原子的P-C和部分质子的P-H偶合常数,3/9质子的⁵J_PH属于折线型偶合,偶合常数为0.9～1.0 Hz.     

一个含苯并咪唑环的酰氨基硫脲NMR研究

该文合成了一个新的在医药方面具有潜在应用价值的含苯并咪唑环的酰氨基硫脲化合物,即4-(4-甲氧基苯基)-1-[2-(4-硝基苯氧基甲基)-苯并咪唑-1-基\]甲酰基氨基硫脲,并利用元素分析、IR和NMR对其结构进行了表征. 通过NOESY谱确定了其两种异构体(A和B)的构型,并利用2D NMR技术对它们的¹H NMR 和¹³C NMR谱进行了全归属,给出了相应的偶合常数和两种异构体的含量.     

单甲基酯亚磺酸帕珠沙星盐的波谱学研究

帕珠沙星(Pazufloxacin), (S)-7-(1′-氨基环丙基)[N,8-缩-(2″-甲基)乙氧基]-3-羧酸-6-氟-喹啉-[4]酮-(S)-7-(1′-Aminocyclopropy1)-[N,8-de]-(2″-methy1)-epoxyethane-3-Carbony1ic acid-6-fluoro-quino1-[4]-one,及其单甲基酯亚磺酸盐是一种可望用于抗革兰氏阳性菌和阴性菌的防治药物. 本文采用¹H NMR、¹³C NMR、DEPT及二维谱¹H-¹H COSY、HMQC、HMBC和IR、MS推证了单甲基酯亚磺酸帕珠沙星盐分子结构的正确性,并进行了¹H、¹³C NMR谱峰的全归属. 对其IR、MS各主要峰也进行了归属.     

Flavor mechanism of micro-nanoparticles and correlation analysis between flavor substances in thermoultrasonic treated fishbone soup

To study the physicochemical properties of micro-nanoparticles (MNPs) in thermoultrasonic treated fishbone soup, it was subjected to ultra-filtration with a 100 kDa ultrafiltration membrane to obtain large MNPs (LMNPs) and small MNPs (SMNPs). LMNPs and SMNPs were treated with force-breakers, and the interactions of the MNPs with five characteristic volatile compounds were investigated. LMNPs covered most proteins (222.66 mg/mL) and fatty acids (363.76 mg/g), while SMNPs was mostly soluble small molecules with taste substances like total free amino acids (85.26 mg/g), organic acids (2.55 mg/mL), and 5′-nucleotides (169.17 mg/100 mL). The stability of LMNPs is significantly higher than raw bone soup, and SMNPs can exist stably in the solution. Correlation analysis between flavor substance content and flavor suggested that the overall flavor profile of halibut bone soup was closely related to the content changes of 72 significant influence variables. The binding of LMNPs to characteristic flavor compounds was largely affected by hydrophobic interactions, hydrogen bonds, and ionic effects. While the binding of SMNPs to characteristic flavor compounds was largely determined by hydrophobic interaction and hydrogen bonding. This study explores the characteristics of MNPs and provides the possibility to clarify the interaction mechanism between MNPs and flavor.     

基于高光谱的大麦籽粒蛋白质含量遥感预测

利用高光谱信息检测作物籽粒蛋白质含量具有无损、快速的特点,而当前国内外开展大麦籽粒蛋白质含量高光谱遥感预测的研究并不多见。以内蒙古自治区海拉尔农垦大麦为研究对象,利用地面高光谱数据寻找大麦植株氮素含量的特征波段,分析了多种典型光谱植被指数与大麦植株氮素含量的相关关系;然后根据氮素运转规律,利用植株氮含量与大麦籽粒蛋白质含量之间的相关关系,构建了基于高光谱数据的大麦籽粒蛋白质含量遥感预测模型。结果表明:(1)550～590nm与670～710nm是大麦植株氮含量的敏感波段区域;(2)植被指数(green-red vegetation index,GRVI)与大麦植株含氮量的相关性最好,R2达到0.665 1。(3)大麦籽粒蛋白质含量与植株氮含量相关性高,建立了基于GRVI的大麦籽粒蛋白质含量的预测模型,R2达到0.658 1。最后,对构建的预测模型进行了验证,其精度达到了一定要求。该研究表明运用高光谱信息来预测大麦籽粒蛋白质含量是可行的,这将为大面积"按质论价"的大麦订单收购提供科学支撑。     

Long term changes in the distribution and delta(15)N values of individual soil amino acids in the absence of plant and fertiliser inputs

The long-term 'biodegradation' on soil amino acids was examined in the control plots of '42 parcelles' experiment, established in 1928 at INRA, Versailles (France). None of the plots is cultivated, but is kept free of weeds, and mixed to a depth of 25 cm twice yearly. Topsoil (0-10 cm depth) samples collected in 1929, 1963 and 1997 were subjected to acid hydrolysis (6 N HCl) for comparison. The distribution and delta(15)N natural abundance of 20 individual amino acids in the soils were determined, using ion chromatography (IC) and gas chromatography-combustion-isotope ratio mass spectrometry (GC-C-IRMS). The total N and amino acid-N (AA-N), respectively, decreased by 54 % and 73 % in the period from 1929 to 1997. The average N loss was comparable for 1929-1963 (period 1) and 1963-1997 (period 2), but AA-N loss was three times faster in the former period. This significant reduction in total AA-N content was mirrored in the individual amino acids, which decreased by 74 % +/- 1 % (ranging 58-89 %) between 1929 and 1997. The bulk delta(15)N values generally increased from 1929 to 1997, mainly associated with comparable or even higher increase of delta(15)N of the non-AA-N in the soil. The residence time (t(1/2), time in which half of N was lost from a specific soil pool) was ca. 65 +/- 5 years for the bulk soil, and comparable for periods 1 and 2. However, between periods 1 and 2 it decreased from 128 to 41 years in the non-AA pool, but increased from 59 to 92 years in the AA-N pool. Proline and amino acids that appear early in soil microbial metabolic pathways (e.g. glutamic acid, alanine, aspartic acid and valine) had relatively high delta(15)N values. Phenylalanine, threonine, glycine and leucine had relatively depleted delta(15)N values. The average delta(15)N value of the individual amino acids (IAAs) increased by 1delta unit from 1929 to 1997, associated with a similar rise from 1929 to 1963, and no change thereafter till 1997. However, the delta(15)N values of phenylalanine decreased by more than 7delta(15)N units between 1929 and 1997. The delta(15)N shift of IAAs from 1929 to 1963 and from 1929 to 1997 was not influenced by the relative amount of N remaining compared with the 1929 soil concentrations. The only exception was phenylalanine which showed decreasing delta(15)N associated with its decreasing concentration in the soil. We conclude therefore that in the absence of plant and fertiliser inputs, no change in the delta(15)N value of individual soil amino acids occurs, hence the original delta(15)N values are preserved and diagnostic information on past soil N (cycling) is retained. The exception was phenylalanine, its delta(15)N decreased with decreasing concentration from 1929 to 1997, hence it acted as a 'potential' marker for the land use changes (i.e. arable cropping to a fallow). The long term biological processing and reworking of residual amino acids resulted in a (partial) stabilisation in the soil, evidenced by reduced N loss and increased residence time of amino acid N during the period 1963-1997.     

内蒙古阿拉善左旗六种常见沙生植物的营养成分与氨基酸组成分析

沙生植物资源量大、生长快、占地面积广，是改善环境和治理荒漠化的主要植物，但其饲用价值没有得到充分利用。目前由于畜牧业的规模化、集约化发展，出现牧草匮乏，商品牧草供应量严重不足，导致畜草矛盾日益增加。沙生植物平茬收获，充分挖掘沙生植物的潜在饲用价值，开发、生产非常规饲料，对推动我国荒漠、半荒漠地区的畜牧业发展和生态修复至关重要。选择内蒙古阿拉善左旗珍珠猪毛菜(简称珍珠)、红砂、油蒿、骆驼刺、柠条锦鸡儿(简称柠条) 和沙米六种常见沙生植物为研究对象，利用光谱学方法测定样品中粗蛋白(CP)、粗脂肪(EE)、粗纤维(CF)、钾(K)、钠(Na)和钙(Ca)等14种营养成分和亮氨酸(Leu)、赖氨酸(Lys)、蛋氨酸(Met)、胱氨酸(Cys)、苏氨酸(Thr)等17种氨基酸含量，并与四种常规饲料(优质玉米、NT-2级稻谷、GB-2级大豆和GB-3级苜蓿草粉)进行比较，获得沙生植物营养价值和潜在饲用价值的评价结果。结果表明：(1)六种沙生植物的CP含量、EE含量和矿物元素含量均处于较高水平，CF含量高于泌乳母牛日粮中CF占日粮干物质的13%，等同于或优于以上四种常规饲料。(2)该研究中氨基酸含量和氨基酸化学评分(CS)的结果为：六种沙生植物都含有17种氨基酸，且组成较为均衡。其中油蒿、骆驼刺、柠条和沙米中的必需氨基酸含量及营养价值均高于优质玉米和NT-2级稻谷。Leu和Lys分别是3种沙生植物红砂、骆驼刺、柠条和珍珠、优质玉米、NT-2级稻谷的第一限制氨基酸，而Thr和Met+Cys分别是油蒿和沙米、GB-2级大豆、GB-3级苜蓿草粉的第一限制氨基酸。(3)主成分分析结果表明，珍珠、柠条和沙米的营养价值高于常规饲料GB-3级苜蓿草粉，且六种沙生植物的营养价值均高于优质玉米和NY-2级稻谷。综上表明，研究区常见的六种沙生植物不仅具有生长快、地上生物量大和耐刈割等特点，更具有较大的饲用开发潜力，是荒漠、半荒漠地区良好的饲料来源，研究结果为指导饲料氨基酸的平衡和合成氨基酸提供可信的实验依据和理论依据。     

Combined ultrasound and germination treatment on the fine structure of highland barley starch

Highland barley is a grain crop grown in Tibet, China. This study investigated the structure of highland barley starch using ultrasound (40 kHz, 40 min, 165.5 W) and germination treatments (30℃ with 80% relative humidity). The macroscopic morphology and the barley's fine and molecular structure were evaluated. After sequential ultrasound pretreatment and germination, a significant difference in moisture content and surface roughness was noted between highland barley and the other groups. All test groups showed an increased particle size distribution range with increasing germination time. FTIR results also indicated that after sequential ultrasound pretreatment and germination, the absorption intensity of the intramolecular hydroxyl (–OH) group of starch increased, and hydrogen bonding was stronger compared to the untreated germinated sample. In addition, XRD analysis revealed that starch crystallinity increased following sequential ultrasound treatment and germination, but a-type of crystallinity remained after sonication. Further, the Mw of sequential ultrasound pretreatment and germination at any time is higher than that of sequential germination and ultrasound. As a result of sequential ultrasound pretreatment and germination, changes in the content of chain length of barley starch were consistent with germination alone. At the same time, the average degree of polymerisation (DP) fluctuated slightly. Lastly, the starch was modified during the sonication process, either prior to or following sonication. Pretreatment with ultrasound illustrated a more profound effect on barley starch than sequential germination and ultrasound treatment. In conclusion, these results indicate that sequential ultrasound pretreatment and germination improve the fine structure of highland barley starch.     

Antioxidant and anti-inflammatory polyphenols in ultrasound-assisted extracts from salvilla (Buddleja scordioides Kunth)

Salvilla is a widely distributed plant used in treatments against gastrointestinal disorders due to its phenolic antioxidant and anti-inflammatory potential. Major yield and quality of bioactive polyphenols must be obtained with no degradation during suitable processes such as Ultrasound-Assisted Extraction (UAE), which allows an efficient extraction of metabolites at appropriate parameter conditions. Salvilla extractions were made using UAE and aqueous ethanolic solutions. Variables used in UAE were sonication time, wave amplitude and percentage of ethanol in solvent. Extracts were tested for total flavonoids, antioxidant activity (ABTS, FRAP and ORAC) and an identification and quantification of phenolic compounds was carried out by UPLC-PDA-ESI-MS/MS. Once elected the better extraction conditions, an anti-inflammatory test was performed for this treatment. As a result, total flavonoids content in extracts was 147 to 288 µg catechin equivalents/mg of dry salvilla extract. All extracts have shown good antioxidant activity (86 to 280 mM Trolox eq/mg dry salvilla extract). Flavonoids contents by chromatography were higher than hydroxybenzoic and hydroxycinnamic acids specially the flavone, flavanol and flavanone groups. Treatment T6 (75% ethanol, 30% amplitude and 10 min extraction time) was the best extract in terms of significant flavonols, antioxidant activity, and higher anti-inflammatory potential.     

Optimization of ultrasound-assisted extraction of bioactive compounds from coffee pulp using propylene glycol as a solvent and their antioxidant activities

In the cosmetic and pharmaceutical industries, it has been increasingly popular to use alternative solvents in the extraction of bioactive compounds from plants. Coffee pulp, a by-product of coffee production, contains different phenolic compounds with antioxidant properties. The effects of polyols, amplitude, extraction time, solvent concentration, and liquid–solid ratio on total phenolic content (TPC) using ultrasound-assisted extraction (UAE) were examined by single-factor studies. Three main factors that impact TPC were selected to optimize the extraction conditions for total phenolic content (TPC), total flavonoid content (TFC), total tannin content (TTC), and their antioxidant activities using the Box-Behnken design. Different extraction methods were compared, the bioactive compounds were identified and quantified by liquid chromatography triple quadrupole mass spectrometer (LC-QQQ), and the cytotoxicity and cellular antioxidant activities of the extract were studied. According to the response model, the optimal conditions for the extraction of antioxidants from coffee pulp were as follows: extraction time of 7.65 min, liquid–solid ratio of 22.22 mL/g, and solvent concentration of 46.71 %. Under optimized conditions, the values of TPC, TFC, TTC, 1,1-diphenyl-2-picryl-hydrazil (DPPH) radical scavenging assay, 2,2′-azino-bis-3-ethylbenzthiazoline-6-sulphonic acid (ABTS) radical scavenging assay, and Ferric reducing antioxidant power assay (FRAP) were 9.29 ± 0.02 mg GAE/g sample, 58.82 ± 1.38 mg QE/g sample, 8.69 ± 0.25 mg TAE/g sample, 7.56 ± 0.27 mg TEAC/g sample, 13.59 ± 0.25 mg TEAC/g sample, and 10.90 ± 0.24 mg FeSO₄/g sample, respectively. Compared with other extraction conditions, UAE with propylene glycol extract (PG-UAE) was significantly higher in TPC, TFC, TTC, DPPH, ABTS, and FRAP response values than UAE with ethanol (EtOH-UAE), maceration with propylene glycol (PG-maceration), and maceration with ethanol (EtOH -maceration) (p < 0.05). Major bioactive compounds detected by LC-QQQ included chlorogenic acid, caffeine, and trigonelline. At higher concentrations starting from 5 mg/ml, PG-UAE extract showed higher cell viability than EtOH-UAE in both cytotoxicity and cellular antioxidant assays. The researcher expects that this new extraction technique developed in this work could produce a higher yield of bioactive compounds with higher biological activity. Therefore, they can be used as active ingredients in cosmetics (anti-aging products) and pharmaceutical applications (food supplements, treatment for oxidative stress-related diseases) with minimal use of chemicals and energy.     

Synergistic effect of probe sonication and ionic liquid for extraction of phenolic acids from oak galls

Phenolic acids of oak gall were extracted using ultrasonic-probe assisted extraction (UPAE) method in the presence of ionic liquid. It was compared with classical ultrasonic-bath assisted extraction (CUBAE) and conventional aqueous extraction (CAE) method, with and without the presence of ionic liquid. Remarkably, the UPAE method yielded two-fold higher extraction yield with the presence of ionic liquid, resulting 481.04 mg/g for gallic acids (GA) and 2287.90 mg/g for tannic acids (TA), while a decreased value of 130.36 mg/g for GA and 1556.26 mg/g for TA were resulted with the absence of ionic liquid. Intensification process resulted the highest yield of 497.34 mg/g and 2430.48 mg/g for GA and TA, respectively, extracted at temperature 50 °C with sonication intensity of 8.66 W/cm² and 10% duty cycle, diluted in ionic liquid, 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [Bmim][Tf₂N] at concentration of 0.10 M with sample-to-solvent ratio 1:10 for 8 h. Peleg’s model successfully predicted the UPAE process confirming that extraction capacity is the controlling factor in extracting phenolic acids. Hence, it can be concluded that UPAE method and ionic liquid have synergistic effect as it effectively enhanced the extraction efficiency to increase the bioactive constituents yield.     

Comparison of ultrasound and microwave assisted extraction of diosgenin from Trigonella foenum graceum seed

From the recent market trend, there is a huge demand for the bioactive compounds from various food matrices that could be capable enough to combat the emerging health effects in day-to-day life. Fenugreek is a well-known spice from ancient times for its medicinal and health benefits. In the present study, two methods of green extraction microwave (MAE) and ultrasound (UAE) assisted were studied in regard of extraction of fenugreek diosgenin. In this study, solvent type (acetone, ethanol, hexane and petroleum ether), solvent concentration (40, 60, 80 and 100%) and treatment time (1.5, 3.0, 4.5 and 6.0 min and 30, 40, 50 and 60 min for MAE and UAE method respectively) was varied to observe the effect of these parameters over extract yield and diosgenin content. The results of this study revealed that treatment time, type of solvent and its concentration and method adopted for extraction of diosgenin has significant effect. In relation with better yield extract and diosgenin content, the yield of fenugreek seed extract was 7.83% with MAE and 21.48% with UAE of fenugreek seed powder at 80% ethanol concentration at 6 and 60 min respectively. The content of diosgenin was observed in fenugreek seed powder extract was 35.50 mg/100 g in MAE and 40.37 mg/100 g in UAE with 80% ethanol concentration at 6 and 60 min respectively. The overall range of yield of fenugreek extract was varied from 1.04% to 32.48% and diosgenin content was 15.82 mg/100 g to 40.37 mg/100 g of fenugreek seed powder including both extraction methods. This study revealed that UAE would impose better ways for preparing fenugreek extract and observing diosgenin content from fenugreek seeds.     

近红外光谱和人工神经网络的金苦荞氨基酸快速测定

荞麦籽粒中富含谷类作物比较缺乏的赖氨酸,使其不同于其他作物,具有较高经济价值。传统氨基酸测定费时且昂贵,为满足金苦荞育种工作的需要,选用近红外光谱技术结合人工神经网络的算法建立快速检测金苦荞叶片中氨基酸含量的近红外模型。使用氨基酸含量差异较大的样品255个,扫描光谱后测定其化学值。研究发现样品苏氨酸(Thr)含量范围是5.307~14.374 mg·g-1;缬氨酸(Val)含量范围是6.137~16.204 mg·g-1;甲硫氨酸(Met)含量范围是0.308~3.049 mg·g-1;异亮氨酸(Ile)含量范围是5.259~14.134 mg·g-1;亮氨酸(Leu)含量范围是9.730~26.061 mg·g-1;苯丙氨酸(Phe)含量范围是5.936~17.223 mg·g-1;赖氨酸(Lys)含量范围是6.640~17.280 mg·g-1;谷氨酸(Glu)含量范围是10.984~27.740 mg·g-1;天冬氨酸(Asp)含量范围是6.437~17.280 mg·g-1;丝氨酸(Ser)含量范围是3.467~8.312 mg·g-1;精氨酸(Arg)含量范围是4.937~14.772 mg·g-1;丙氨酸(Ala)含量范围是3.329~6.885 mg·g-1;组氨酸(His)含量范围是1.946~4.798 mg·g-1;甘氨酸(Gly)含量范围是4.196~9.264 mg·g-1;脯氨酸(Pro)含量范围是1.024~5.672 mg·g-1;酪氨酸(Tyr)含量范围是0.176~1.173 mg·g-1;半胱氨酸(Cys)含量范围是0.422~1.926 mg·g-1。每次随机选取50个样品建设模型,以4∶1的比例随机分为训练集和测试集。数据进行归一化处理后,使用神经网络结构1102-9-1进行模型建设。利用多次学习的方式建立了较优模型,其中Arg和Asp近红外模型的仿真测试结果最好,预测值与真实值的相关系数(R2)均大于0.97,平均相对误差(RSD)也小于10%;另外Leu,Val,Tyr,Ile,Ser,Ala,Thr,His,Phe,Gly和Lys模型的R2均大于0.90,模型仿真测试数据的RSD小于10%,模型均可用;Met与Cys的模型进行仿真测试时,其预测值与真实值的R2均大于0.78,但RSD大于10%,模型不可用。结果表明,金苦荞叶片的氨基酸含量高,有极高应用价值,近红外光谱技术结合人工神经网络的分析方法可应用于金苦荞氨基酸含量的预测,为高品质荞麦育种工作提供了便利。