Nuclear magnetic resonance for quantum computing： Techniques and recent achievements

Rapid developments in quantum information processing have been made, and remarkable achievements have been obtained in recent years, both in theory and experiments. Coherent control of nuclear spin dynamics is a powerful tool for the experimental implementation of quantum schemes in liquid and solid nuclear magnetic resonance （NMR） system, especially in liquid-state NMR. Compared with other quantum information processing systems, the NMR platform has the advantages such as the long coherence time, the precise manipulation, and well-developed quantum control techniques, which make it possible to accurately control a quantum system with up to 12-qubits. Extensive applications of liquid-state NMR spectroscopy in quantum information processing such as quantum communication, quantum computing, and quantum simulation have been thoroughly studied over half a century. This article introduces the general principles of NMR quantum information processing, and reviews the new-developed techniques. The review will also include the recent achievements of the experimental realization of quantum algorithms for machine learning, quantum simulations for high energy physics, and topological order in NMR. We also discuss the limitation and prospect of liquid-state NMR spectroscopy and the solid-state NMR systems as quantum computing in the article.

Application of nuclear magnetic resonance technology to carbon capture,utilization and storage:A review

Carbon capture,utilization and storage (CCUS) is considered as a very important technology for mitigating global climate change.Carbon dioxide (CO2) injected into an underground reservoir will induce changes in its physical properties and the migration of CO2 will be affected by many factors.Accurately understanding these changes and migration characteristics of CO2 is crucial for selecting a CCUS project site,estimating storage capacity and ensuring storage security.In this paper,the basic principles of nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) technologies are briefly introduced in the context of laboratory experiments related to CCUS.The types of NMR apparatus,experimental samples and testing approaches applied worldwide are discussed and analyzed.Then two typical NMR core analysis systems used in CCUS field and a self-developed high-pressure,low-field NMR rock core flooding experimental system are compared.Finally,a summary of the current deficiencies related to NMR applied to CCUS field is given and future research plans are proposed.

Classification of different walnut varieties using low-field nuclear magnetic resonance technology and cluster analysis

To classify different walnut varieties based on water and oil content of walnut,and determine their storage conditions,the low-field nuclear magnetic resonance(LFNMR)technology was used to obtain the NMR transverse relaxation time(T 2)of the samples based on the physical and chemical indicators of the walnut quality.The relationship between the relaxation time and phase state of the internal material of the sample was investigated,and the characteristic parameters of the NMR spectrum signals were statistically analyzed using cluster analysis to determine the different walnut varieties,and three different components,as well as their contents,were detected by a LFNMR spectrometer:firmly bound water,weakly bound water,and weakly bound oil.Test results indicated that the oil peak was dominant in the overall signal intensity compared to the water peaks,in which the firmly bound water phase contributed more to the overall water signal between the water peaks.Using the analytic hierarchy process of cluster analysis,21 walnut samples were classified into three different classes,based on the characteristic parameters of the water-content and oil-content spectrum signals.The first class contains four walnut varieties characterized by least water and highest oil contents;the third class contains two walnut varieties,with the highest water content and least oil content;whereas,the second class contains 15 walnut varieties,with both water and oil contents at medium levels.The results showed that LFNMR led to a rapid detection of moisture and oil contents in walnuts,while cluster analysis classified different walnuts varieties based on these parameters.This study also provided the basis for optimizing the storage methods and storage conditions of walnuts.

基于总体最小二乘-旋转不变算法的地表核磁共振信号参数估计

在地表核磁共振(SNMR)找水系统中,根据SNMR信号的参数能够预估地下含水层的储水量、导电性以及孔隙结构等信息。然而在实际应用中探测现场采集的SNMR信号十分微弱,易受到环境噪声干扰,导致无法直接获取SNMR信号的参数。针对这一问题,该文提出基于总体最小二乘-旋转不变法(TLS-ESPRIT)的地表核磁共振信号参数估计方法。基于谐波噪声与SNMR信号的相似信号特征构成一个由多个正弦衰减信号叠加的混合信号模型,使用TLS-ESPRIT将混合信号参数提取问题转换为旋转不变矩阵的广义特征值求解,从而获得SNMR信号的拉莫尔频率和弛豫时间,并结合最小二乘法求得其初始振幅和相位。仿真信号和实测信号实验结果表明此方法能够估计出混有随机噪声和工频谐波噪声的SNMR信号的参数,相比传统的谐波建模方法,在参数提取精度上效果更好。

微生物诱导碳酸钙沉淀技术对花岗岩残积土渗透性的影响规律研究

用花岗岩残积土填筑的路基具有水稳性差、渗透系数大、易受降雨冲刷等特点。为探讨微生物诱导碳酸钙沉淀(microbial induced calcite precipitation,MICP)技术对花岗岩残积土渗透系数的影响规律及作用机理,测定MICP固化前后重塑花岗岩残积土试样的渗透系数,并对固化前后的试样进行碳酸钙质量分数测定、核磁共振扫描、电镜扫描以及X射线衍射分析。结果表明:1) MICP技术能使花岗岩残积土试样的渗透系数降低两个数量级,且在试验范围内,将各因素按照对渗透系数的影响程度从大到小排列,依次为:胶结液浓度、固化次数、灌注液量。同时,最佳固化条件为灌注液量40 mL、胶结液浓度1.0 mol/L、固化16次。2)固化产生的沉淀填充在花岗岩残积土孔隙中,致使孔隙间的连通性变差,孔隙率下降。总体上,越靠近注入端碳酸钙的质量分数越大,固化效果越好。3)簇状的方解石碳酸钙有效胶结了原本松散的土颗粒,堵塞了土颗粒孔隙间的渗流通道,降低了试样的渗透系数。

Analysis of quality-related proteins in golden pompano(Trachinotus ovatus)fillets with modified atmosphere packaging under superchilling storage

Here,we aimed to study the changes in proteome of golden pompano fillets during post-mortem storage.Tandem mass tags(TMT)-labeled quantitative proteomic strategy was applied to investigate the relationships between protein changes and quality characteristics of modified atmosphere packaging(MAP)fillets during superchilling(-3°C)storage.Scanning electron microscopy was used to show that the muscle histology microstructure of fillets was damaged to varying degrees,and low-field nuclear magnetic resonance was used to find that the immobilized water and free water in the muscle of fillets changed significantly.Total sulfhydryl content,TCA-soluble peptides and Ca2+-ATPase activity also showed that the fillet protein had a deterioration by oxidation and denaturation.The Fresh(FS),MAP,and air packaging(AP)groups were set.Total of 150 proteins were identified as differential abundant proteins(DAPs)in MAP/FS,while 209 DAPs were in AP/FS group.The KEGG pathway analysis indicated that most DAPs were involved in binding proteins and protein turnover.Correlation analysis found that 52 DAPs were correlated with quality traits.Among them,8 highly correlated DAPs are expected to be used as potential quality markers for protein oxidation and water-holding capacity.These results provide a further understanding of the muscle deterioration mechanism of packaging golden pompano fillets during superchilling.

鄂尔多斯盆地长7页岩储层压裂液渗吸规律及原油微观动用特征

为揭示鄂尔多斯盆地长7页岩油藏压裂液渗吸排油规律,评价渗吸阶段原油微观动用特征,选取典型的互层状页岩和厚层状页岩岩心样品,利用低场核磁共振技术结合室内高温高压渗吸模拟装置,开展页岩油藏压裂液渗吸排油室内动态模拟实验,定量评价页岩油藏压后渗吸阶段,不同尺度孔喉的压裂液渗吸速度、渗吸采收率及原油微观动用特征。结果表明,页岩油藏压裂液渗吸过程可分为高速渗吸阶段和稳定渗吸阶段,渗吸作用前6 h是高效渗吸阶段,此时的渗吸速率最高可以达到3.08%/h;互层状页岩储层的较小孔喉的渗吸速率及渗吸采收率显著高于较大孔喉,较小孔喉对渗吸采收率的贡献程度可达到81.18%;厚层状页岩压裂液在不同尺度孔喉中的渗吸采收率接近。在页岩油藏压裂阶段,页岩储层渗透率和黏土矿物含量是影响压裂液渗吸效果的主要控制因素,相关成果及认识可为页岩油藏压裂方案优化提供理论支撑。

基于行为经济学与脑核磁共振融合分析的尼古丁依赖者非理性行为研究

将行为经济学理论与现代医学技术成果相结合,以尼古丁依赖者吸烟决策这一非理性行为为研究对象,引入医学的核磁共振技术分析并对比不同程度吸烟者的脑灰质、脑白质核磁共振图情况,进而进行效用分析和成瘾机制分析。同时,从生理和心理两个角度对吸烟决策进行效用成本分析,发现尼古丁依赖者在进行吸烟决策时普遍存在成本估计偏误和偏好反转。分析内在关系,运用行为经济学拟双曲贴现模型分析发现,由于吸烟者具有当下享乐偏好,每次决策又是站在当期决策,不断的正反馈机制引发了吸烟成瘾机制,决策的总效用存在长期的阶段不一致性和短期的时间不一致性,总成本存在边际成本随时间递增和健康成本时间上存在延迟性的特点,导致了尼古丁依赖者吸烟决策的成本估计偏误。由于尼古丁依赖者吸烟决策的跨期选择更符合拟双曲贴现模型,致使尼古丁依赖者吸烟决策的偏好反转。

原位电化学与核磁共振联用新技术及其应用进展

电极表面微观的电化学反应动力学机制无法通过孤立的传统电化学方法直接揭示,核磁共振技术能在分子水平上提供待测样品的化学位移和J耦合产生的微小分裂等信息,它可以更容易地鉴定同分异构体、分子构象和电子变化。因此,原位电化学与核磁共振联用技术可以从分子层面上对物质反应机理和反应动力学过程进行原位无损实时研究,发现非原位技术无法监测的短寿命中间体,揭示反应机理和构效关系等相关信息,是一种非常有发展前途的原位谱学技术。但是由于电化学池和核磁共振的不兼容性,对原位电化学与核磁共振的研究及应用相对较少,为了让更多的人了解原位电化学与核磁共振联用这一新技术,文章分别阐述了该技术的国内外进展、工作原理、面临的挑战及其在电化学催化及物质反应机理、燃料电池和药物研究等方面的应用,并对今后需要解决的关键性问题进行了展望。

Further discussion of CO_(2) huff-n-puff mechanisms in tight oil reservoirs based on NMR monitored fluids spatial distributions

Due to the poor physical properties of tight reservoirs,CO_(2) huff-n-puff(HNP)is considered a potential enhanced oil recovery(EOR)method after primary depletion.Optimization plays a critical role in the effective implementation of CO_(2) huff-n-puff.But the optimization requires a good understanding of the EOR mechanisms.In this work,the spatial distribution of oil saturation under different experimental conditions was analyzed by the NMR method to further discuss the HNP mechanisms.According to the variation of 1D frequency signal amplitude,we divided the core into the hardly movable area and movable area,the region with the obvious signal decline was defined as the movable area,and the hardly movable area was the region with limited signal decline.Based on that the recovery characteristics of different scenarios were evaluated.Firstly,the necessity of the soaking stage was studied,where three scenarios with different soaking times were carried out.Secondly,the injection pressure was adjusted to investigate the effect of the pressure gradient.The T_(2) spectra show that soaking has significantly improved the production of crude oil in small pores,and higher oil recovery in a single cycle is observed,but it is lower when the elapsed time(total operation time)is the same.31.03% of oil can be recovered after 3 cycles HNP,which increases to 33.8% and 37.06% for the 4 cycles and 6 cycles cases.As the pressure gradient increases,more oil is removed out of the matrix,and the oil in the deep part of the reservoir can be effectively recovered.During the CO_(2) huff-n-puff process,the oil distributions are similar to the solution gas drive,the residual oil is distributed at the close end of the core and the range that the oil can be efficiently recovered is limited.

基于核磁共振及成像技术研究速冻汤圆在冻融过程中的水分迁移变化

目的研究冻融过程对速冻汤圆水分分布及迁移的影响。方法采用低场核磁共振(low-field nuclear magnetic resonance,LF-NMR)及成像技术研究速冻汤圆在冻结和融化过程、反复冻融过程及储藏期间的水分分布变化。结果在冻结状态下,速冻汤圆中强结合水含量高达95.85%,随着温度的升高,强结合水向弱结合水转化,当温度高于0℃时,体系中的水分以不易流动水为主,T22发生右移,水分自由度增加;另外,反复冻融造成汤圆水分的迁移损耗,核磁共振成像(magnetic resonance imaging,MRI)图进一步证实冻融循环导致汤圆体系中的结合水向不易流动水和自由水转化;随着储藏时间的延长,T21由0.62ms增加为1.97ms,说明样品体系中结合水与基质结合的紧密度减低,但储藏期间结合水、不易流动水等含量变化并未呈现出规律变化。结论冻融循环增加了体系水分的自由度;但在冻藏的过程中,保持储藏温度的稳定性有利于提高速冻汤圆体系中水分的稳定性。LF-NMR分析可以快速反映温度波动、反复冻融等对速冻汤圆水分分布造成的影响,进而评估速冻汤圆的品质变化。

Effects of Water-cement Ratio and Hydration Heat Regulating Materials on Hydration Process of Early-age Cementitious Materials

By means of low-field nuclear magnetic resonance(LF-NMR),the transverse relaxation time(T_(2))signals of physically bound water in cement paste were monitored to indicate water content change and characterize the early-age hydration process.With the curves of the T_(2)signals and hydration time obtained,the hydration process could be divided into four typical periods using the null points of the second derivative curve,and the influences of water-cement ratio(w/c)and hydration heat regulating materials(HHRM)on hydration process were analyzed.The experimental results showed that the hydration rate of pure cement paste in accelerated period presented a positive correlation with w/c.Compared to pure cement paste,the addition of HHRM extended all four periods,and led to a much faster hydration rate in initial period as well as a slower rate in accelerated period.Finally,according to the LFNMR test results,the early-age hydration model of cementitious materials was proposed considering w/c and HHRM content.

火山岩气藏不同岩性核磁共振实验研究

利用核磁共振技术,并结合离心实验,确定出可动用流体对应的下限离心力为2.76MPa;由毛管力原理,计算出可动用喉道半径下限为0.05μm,确定了火山岩储层可动用下限实验标准。研究结果表明:火山岩储层不同岩性可动流体驰豫时间(T2)截止值与渗透率的关系与砂岩可动流体T2截止值的变化规律不同。火山岩岩样的可动流体T2截止值随渗透率增大而减小,并与裂缝发育程度相关。不同岩性可动流体T2截止值由大到小依次为流纹岩、熔结凝灰岩、晶屑凝灰岩、角砾熔岩、火山角砾岩。不同岩性火山岩储层岩样的可动流体百分数总体而言随渗透率的增大而增大,束缚水饱和度随渗透率的增大而减小。

用核磁共振成像技术研究聚合物驱油过程

采用核磁共振成像技术，在接近实际地层条件的三层非均质物理模型中，可视化地研究了不同大小聚合物段塞的驱油过程，获得了聚合物段塞运动的三维核磁共振图像，同时还研究了聚合物注入前后孔隙利用系数的三维变化情况。结果表明：聚合物段塞注入过程中，高渗层的采出程度得到进一步提高，注入一定体积的聚合物溶液后，中、低渗层才开始见效；聚合物段塞注入后的继续注水过程中，低渗层的采出程度有大幅度提高，同时，高、中渗透层也有所提高；三维核磁共振成像还表明，聚合物溶液注入后，模型孔隙利用系数明显提高，孔隙利用系数提高的幅度与孔隙注入端之间的距离有关；在非均质模型中，聚合物溶液能改善水油流度比，提高油层内部水驱微观波及系数和宏观波及系数从而提高驱油效果。

高场核磁共振波谱在多糖结构研究中的应用

随着高场核磁共振波谱（NMR）技术飞速发展，它在多糖的结构研究中发挥着日益重要的作用，不仅对共价结构，而且对于多糖在溶液中或固体状态下的构象以及动力学特性，NMR分析也是最有力的工具。本文综述了高场NMR技术在分析多糖结构方面的应用。

用核磁共振成像技术研究周期注水驱油机理

用核磁共振成像技术研究了周期注水驱油机理。压力扰动弹性效应和高低渗透区之间的油水交渗效应是周期注水的主要机理，对不同地层可实施不同方式的周期注水，它对水湿地层和油湿地层都是有效的。

核磁共振技术在食品检测方面的应用

综述国内外核磁共振技术在食品检测方面的技术研究。从核磁共振技术定义与分类,及其对食品成分、分子结构的分析以及水果品质无损检测等方面的应用进行阐述。从目前的应用现状来看,该技术在食品检测方面具有快速、准确以及不损坏原料的优点,但在实际的应用中也还存在一些问题,有待于进一步深入研究。

有机纯度标准物质定值技术研究进展

有机标准物质作为参考标准广泛应用于色谱分析领域。有机标准物质化学纯度定值技术是赋予标准物质准确量值的关键。纯度定值技术包括直接测量主组分的方法和扣除杂质的方法。直接测量主组分的方法主要有气相色谱法(GC)、液相色谱法(LC)、定量核磁法(qNMR)、元素分析法和滴定法(重量滴定和容量滴定)。扣除杂质的方法要测量所有可以检测到的杂质组分,然后将其扣除来计算主成分的含量。典型的扣除杂质的方法是凝固点下降法和差示扫描量热法(DSC),并结合水分测量、残留溶剂测量和无机杂质测量进行分析。该文总结了有机标准物质化学纯度的多种定值技术(2000～2012),比较了多种定值技术的优缺点与局限性,并对有机标准物质化学纯度定值技术的发展进行了展望。

杉木枝叶的化学成分

利用硅胶柱、ODS、MCI、Sephadex LH-20柱色谱法、TLC薄层色谱手段,对杉木(Cunninghamia lanceolata)枝叶的化学成分进行分离,共得到6个化合物。采用核磁共振、质谱等分析方法,对化合物的结构进行了鉴定,分别为金松双黄酮(1)、穗花杉双黄酮(2)、2-(1,3-苯并二噁茂-5-基)-丙烷-1,3-二醇(3)、对羟基苯甲酸(4)、正二十九烷-15-醇(n-nonacosane-15-ol)(5)、β-谷甾醇(6)。其中,化合物(3)为首次从杉木中分到。

现代核磁共振技术教学研究及其在分析检测中的应用

核磁共振仪主要面向科研工作者,因此该仪器的开放对象为经常使用该仪器的本院教师和在读研究生。在教学和科研方面,目的是提高学生的实践能力和创新能力,使学生成为高素质的应用型、创新型人才;培养一批熟悉仪器设备的性能、工作条件、操作方法的人才,为他们将来步入工作岗位适应社会的发展和需求打下良好的基础。同时也培养一大批具有实际操作技能和管理经验的专门人才,以满足社会对高素质应用型人才的需求。因此,现代核磁共振技术教学和科研研究方面应用非常广泛。