氟诺哌齐结构和性质的密度泛函理论研究

氟诺哌齐是一种新型的抗阿尔茨海默病临床候选药物,目前尚处于临床试验阶段;对氟诺哌齐进行密度泛函理论研究,有助于揭示其分子的性质和功能.在B3LYP/6-311+G(d,p)基组水平上,采用密度泛函理论(DFT)的方法优化氟诺哌齐的分子结构;在相同基组水平下经过谐振频率分析,证实了12种分子构象的稳定结构,并确定了优势构型为DC20-1.根据Marcus理论,对其重组能进行模拟计算,得出氟诺哌齐分子不具备运输性质.通过前线轨道(FMO)分析,发现氟诺哌齐分子具有一定的电子跃迁能力和分子内反应活性,活性反应位点为C15、O28、C23和O26.根据红外光谱、紫外-可见吸收光谱模拟计算结果,对谱图数据进行了讨论分析,研究结果可作为氟诺哌齐表征和鉴别的参考依据.

腰椎“内聚式”对称减压人工诱导突出椎间盘自然回缩的减压机制

背景:腰椎间盘突出症传统手术通过“环”神经广泛式切除进行减压及摘除突出腰椎间盘,存在神经损伤造成瘫痪、腰椎失稳、突出复发、椎间隙感染以及邻椎病等多种风险及并发症。目的:提出腰椎“内聚式”对称减压人工诱导突出椎间盘自然回缩术,观察这种新术式的人工诱导突出椎间盘自然吸收现象及早期临床疗效,并分析其减压机制。方法:纳入2021年3月至2023年5月郑州大学第一附属医院骨科收治的腰椎间盘突出患者214例,其中对照组81例行保守治疗,试验组133例接受腰椎“内聚式”对称减压人工诱导突出椎间盘自然回缩术治疗。试验组术前、术后即刻(7-14 d)及术后早期(1年以上)分别使用MRI图像测量腰椎间盘突出的体积变化,CT图像测量腰椎棘突韧带复合体后移距离以及侧隐窝宽度和高度,日本骨科学会评分评估患者神经功能恢复情况。结果与结论:(1)对照组:保守治疗81例腰椎间盘突出患者共171个突出腰椎间盘,平均随访时间(22.7±23.1)个月;171个突出腰椎间盘就诊时及末次随访MRI测量突出腰椎间盘体积分别为(551.6±257.9)mm3和(792.2±330.4)mm3,体积平均增大率为(53.2±44.4)%,差异有显著性意义(P<0.001);171个突出腰椎间盘中有4个发生了自然回缩现象,吸收比为2.3%(4/171),吸收率为(24.5±9.9)%。(2)试验组:133例腰椎间盘突出患者共285个突出腰椎间盘。①术后即刻:所有患者均完成术后即刻随访,285个突出腰椎间盘中有229个发生回缩,吸收比为80.3%(229/285),平均吸收率为(21.5±20.9)%,显著及完全吸收占6.5%;上腰椎共70个突出腰椎间盘,吸收比为85.7%(60/70),平均吸收率为(23.1±19.5)%,最大吸收率为86.6%;下腰椎共215个突出腰椎间盘,吸收比为78.6%(169/215),平均吸收率为(21.0±21.3)%,最大吸收率为83.2%;上腰椎与下腰椎显著及完全吸收分别占5.7%和6.5%,无统计学差异(P>0.05);术后即刻棘突韧带复合体后移平均距离为(5.2±2.8)mm;术前和术后即刻相比,左侧、右侧侧隐窝的宽度、高度均无统计学差异(P>0.05);术后即刻日本骨科学会评分由术前(10.1±3.4)分提升至(17.0±4.8)分,术后即刻有效率达95.6%;②术后早期:其中46例患者完成术后早期随访,共101个突出腰椎间盘,吸收比为94%(95/101),平均吸收率为(36.9±23.7)%,显著及完全吸收占30.6%,最大吸收率为100%;101个突出腰椎间盘中有3个体积未发生变化,体积不变率为2.97%(3/101);101个突出腰椎间盘有3个突出椎间盘体积增大,增大比为2.97%(3/101),增大率为(18.5±18.4)%;日本骨科学会评分由术前(9.3±5.1)分提升至(23.5±4.0)分,优良率达93.4%。(3)对照组和试验组术后早期突出腰椎间盘吸收比分别为2.3%及85.9%,差异有显著性意义(P<0.001)。(4)并发症:试验组有2例发生切口渗液,延迟愈合,经换药等保守治疗切口愈合,且该组未发生神经损伤或死亡,也未再行二次手术。(5)结果显示,腰椎“内聚式”对称减压人工诱导突出椎间盘自然回缩术是一种可避免“环”神经广泛切除且可获得满意早期临床疗效的治疗腰椎间盘突出的新方法,不破坏腰椎关节突关节,也不改变侧隐窝基本解剖结构,完整保留突出腰椎间盘并可诱导其发生显著甚至完全的人工诱导突出椎间盘自然吸收;腰椎“内聚式”对称减压人工诱导突出椎间盘自然回缩术为腰椎间盘突出症的临床治疗提供了新的依据和方法。

Multiple Tin Compounds Modified Carbon Fibers to Construct Heterogeneous Interfaces for Corrosion Prevention and Electromagnetic Wave Absorption

Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is considered an effective means to achieve high-efficiency EMW absorption.However,interface modulation engineering has not been fully discussed and has great potential in the field of EMW absorption.In this study,multi-component tin compound fiber composites based on carbon fiber(CF)substrate were prepared by electrospinning,hydrothermal synthesis,and high-temperature thermal reduction.By utilizing the different properties of different substances,rich heterogeneous interfaces are constructed.This effectively promotes charge transfer and enhances interfacial polarization and conduction loss.The prepared SnS/SnS_(2)/SnO_(2)/CF composites with abundant heterogeneous interfaces have and exhibit excellent EMW absorption properties at a loading of 50 wt%in epoxy resin.The minimum reflection loss(RL)is−46.74 dB and the maximum effective absorption bandwidth is 5.28 GHz.Moreover,SnS/SnS_(2)/SnO_(2)/CF epoxy composite coatings exhibited long-term corrosion resistance on Q235 steel surfaces.Therefore,this study provides an effective strategy for the design of high-efficiency EMW absorbing materials in complex and harsh environments.

Structure and electrochemical performance of delafossite AgFeO_(2)nanoparticles for supercapacitor electrodes

Delafossite AgFeO_(2)nanoparticles with a mixture of 2H and 3R phases were successfully fabricated by using a simple co-precipitation method.The resulting precursor was calcined at temperatures of 100,200,300,400,and 500℃to obtain the delafossite AgFe0_(2)phase.The morphology and microstructure of the prepared AgFeO_(2)samples were characterized by using field emission scanning electron microscopy(FESEM),transmission electron microscopy(TEM),N_(2) adsorption/desorption,X-ray absorption spectroscopy(XAS),and Xray photoelectron spectroscopy(XPS)techniques.A three-electrode system was employed to investigate the electrochemical properties of the delafossite AgFeO_(2)nanoparticles in a 3 M KOH electrolyte.The delafossite AgFeO_(2)nanoparticles calcined at 100℃(AFO100)exhibited the highest surface area of 28.02 m^(2)·g^(-1)and outstanding electrochemical performance with specific capacitances of 229.71 F·g^(-1)at a current density of 1 A·g^(-1)and 358.32 F·g^(-1)at a scan rate of 2 mV·s^(-1).This sample also demonstrated the capacitance retention of 82.99% after 1000 charge/discharge cycles,along with superior specific power and specific energy values of 797.46 W·kg^(-1)and 72.74Wh·kg^(-1),respectively.These findings indicate that delafossite AgFeO_(2)has great potential as an electrode material for supercapacitor applications.

Tailoring Light–Matter Interactions in Overcoupled Resonator for Biomolecule Recognition and Detection

Plasmonic nanoantennas provide unique opportunities for precise control of light–matter coupling in surface-enhanced infrared absorption(SEIRA)spectroscopy,but most of the resonant systems realized so far suffer from the obstacles of low sensitivity,narrow bandwidth,and asymmetric Fano resonance perturbations.Here,we demonstrated an overcoupled resonator with a high plasmon-molecule coupling coefficient(μ)(OC-Hμresonator)by precisely controlling the radiation loss channel,the resonator-oscillator coupling channel,and the frequency detuning channel.We observed a strong dependence of the sensing performance on the coupling state,and demonstrated that OC-Hμresonator has excellent sensing properties of ultra-sensitive(7.25%nm^(−1)),ultra-broadband(3–10μm),and immune asymmetric Fano lineshapes.These characteristics represent a breakthrough in SEIRA technology and lay the foundation for specific recognition of biomolecules,trace detection,and protein secondary structure analysis using a single array(array size is 100×100μm^(2)).In addition,with the assistance of machine learning,mixture classification,concentration prediction and spectral reconstruction were achieved with the highest accuracy of 100%.Finally,we demonstrated the potential of OC-Hμresonator for SARS-CoV-2 detection.These findings will promote the wider application of SEIRA technology,while providing new ideas for other enhanced spectroscopy technologies,quantum photonics and studying light–matter interactions.

Magneto‑Dielectric Synergy and Multiscale Hierarchical Structure Design Enable Flexible Multipurpose Microwave Absorption and Infrared Stealth Compatibility

Developing advanced stealth devices to cope with radar-infrared(IR)fusion detection and diverse application scenarios is increasingly demanded,which faces significant challenges due to conflicting microwave and IR cloaking mechanisms and functional integration limitations.Here,we propose a multiscale hierarchical structure design,integrating wrinkled MXene IR shielding layer and flexible Fe_(3)O_(4)@C/PDMS microwave absorption layer.The top wrinkled MXene layer induces the intensive diffuse reflection effect,shielding IR radiation signals while allowing microwave to pass through.Meanwhile,the permeable microwaves are assimilated into the bottom Fe_(3)O_(4)@C/PDMS layer via strong magneto-electric synergy.Through theoretical and experimental optimization,the assembled stealth devices realize a near-perfect stealth capability in both X-band(8–12 GHz)and long-wave infrared(8–14μm)wavelength ranges.Specifically,it delivers a radar cross-section reduction of−20 dB m^(2),a large apparent temperature modulation range(ΔT=70℃),and a low average IR emissivity of 0.35.Additionally,the optimal device demonstrates exceptional curved surface conformability,self-cleaning capability(contact angle≈129°),and abrasion resistance(recovery time≈5 s).This design strategy promotes the development of multispectral stealth technology and reinforces its applicability and durability in complex and hostile environments.

Integration of Electrical Properties and Polarization Loss Modulation on Atomic Fe–N‑RGO for Boosting Electromagnetic Wave Absorption

Developing effective strategies to regulate graphene’s conduction loss and polarization has become a key to expanding its application in the electromagnetic wave absorption(EMWA)field.Based on the unique energy band structure of graphene,regulating its bandgap and electrical properties by introducing heteroatoms is considered a feasible solution.Herein,metal-nitrogen doping reduced graphene oxide(M–N-RGO)was prepared by embedding a series of single metal atoms M–N_(4) sites(M=Mn,Fe,Co,Ni,Cu,Zn,Nb,Cd,and Sn)in RGO using an N-coordination atom-assisted strategy.These composites had adjustable conductivity and polarization to optimize dielectric loss and impedance matching for efficient EMWA performance.The results showed that the minimum reflection loss(RL_(min))of Fe–N-RGO reaches−74.05 dB(2.0 mm)and the maximum effective absorption bandwidth(EAB_(max))is 7.05 GHz(1.89 mm)even with a low filler loading of only 1 wt%.Combined with X-ray absorption spectra(XAFS),atomic force microscopy,and density functional theory calculation analysis,the Fe–N_(4) can be used as the polarization center to increase dipole polarization,interface polarization and defect-induced polarization due to d-p orbital hybridization and structural distortion.Moreover,electron migration within the Fe further leads to conduction loss,thereby synergistically promoting energy attenuation.This study demonstrates the effectiveness of metal-nitrogen doping in regulating the graphene′s dielectric properties,which provides an important basis for further investigation of the loss mechanism.

Defects‑Rich Heterostructures Trigger Strong Polarization Coupling in Sulfides/Carbon Composites with Robust Electromagnetic Wave Absorption

Defects-rich heterointerfaces integrated with adjustable crystalline phases and atom vacancies,as well as veiled dielectric-responsive character,are instrumental in electromagnetic dissipation.Conventional methods,however,constrain their delicate constructions.Herein,an innovative alternative is proposed:carrageenan-assistant cations-regulated(CACR)strategy,which induces a series of sulfides nanoparticles rooted in situ on the surface of carbon matrix.This unique configuration originates from strategic vacancy formation energy of sulfides and strong sulfides-carbon support interaction,benefiting the delicate construction of defects-rich heterostructures in M_(x)S_(y)/carbon composites(M-CAs).Impressively,these generated sulfur vacancies are firstly found to strengthen electron accumulation/consumption ability at heterointerfaces and,simultaneously,induct local asymmetry of electronic structure to evoke large dipole moment,ultimately leading to polarization coupling,i.e.,defect-type interfacial polarization.Such“Janus effect”(Janus effect means versatility,as in the Greek two-headed Janus)of interfacial sulfur vacancies is intuitively confirmed by both theoretical and experimental investigations for the first time.Consequently,the sulfur vacancies-rich heterostructured Co/Ni-CAs displays broad absorption bandwidth of 6.76 GHz at only 1.8 mm,compared to sulfur vacancies-free CAs without any dielectric response.Harnessing defects-rich heterostructures,this one-pot CACR strategy may steer the design and development of advanced nanomaterials,boosting functionality across diverse application domains beyond electromagnetic response.

Low‑Temperature Oxidation Induced Phase Evolution with Gradient Magnetic Heterointerfaces for Superior Electromagnetic Wave Absorption

Gradient magnetic heterointerfaces have injected infinite vitality in optimizing impedance matching,adjusting dielectric/magnetic resonance and promoting electromagnetic(EM)wave absorption,but still exist a significant challenging in regulating local phase evolution.Herein,accordion-shaped Co/Co_(3)O_(4)@N-doped carbon nanosheets(Co/Co_(3)O_(4)@NC)with gradient magnetic heterointerfaces have been fabricated via the cooperative high-temperature carbonization and lowtemperature oxidation process.The results indicate that the surface epitaxial growth of crystal Co_(3)O_(4) domains on local Co nanoparticles realizes the adjustment of magnetic-heteroatomic components,which are beneficial for optimizing impedance matching and interfacial polarization.Moreover,gradient magnetic heterointerfaces simultaneously realize magnetic coupling,and long-range magnetic diffraction.Specifically,the synthesized Co/Co_(3)O_(4)@NC absorbents display the strong electromagnetic wave attenuation capability of−53.5 dB at a thickness of 3.0 mm with an effective absorption bandwidth of 5.36 GHz,both are superior to those of single magnetic domains embedded in carbon matrix.This design concept provides us an inspiration in optimizing interfacial polarization,regulating magnetic coupling and promoting electromagnetic wave absorption.

Graphene Aerogel Composites with Self‑Organized Nanowires‑Packed Honeycomb Structure for Highly Efficient Electromagnetic Wave Absorption

With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss capacity.The macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene nanoplates.The unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric synergy.Therefore,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 mm.Besides,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h.

Study on the hydrogen absorption properties of a YGdTbDyHo rare-earth high-entropy alloy

This study investigated the microstructure and hydrogen absorption properties of a rare-earth high-entropy alloy(HEA),YGdTbDyHo.Results indicated that the YGdTbDyHo alloy had a microstructure of equiaxed grains,with the alloy elements distributed homogeneously.Upon hydrogen absorption,the phase structure of the HEA changed from a solid solution with an hexagonal-close-packed(HCP)structure to a high-entropy hydride with an faced-centered-cubic(FCC)structure without any secondary phase precipitated.The alloy demonstrated a maximum hydrogen storage capacity of 2.33 H/M(hydrogen atom/metal atom)at 723 K,with an enthalpy change(ΔH)of-141.09 kJ·mol^(-1)and an entropy change(ΔS)of-119.14 J·mol^(-1)·K^(-1).The kinetic mechanism of hydrogen absorption was hydride nucleation and growth,with an apparent activation energy(E_(a))of 20.90 kJ·mol^(-1).Without any activation,the YGdTbDyHo alloy could absorb hydrogen quickly(180 s at 923 K)with nearly no incubation period observed.The reason for the obtained value of 2.33 H/M was that the hydrogen atoms occupied both tetrahedral and octahedral interstices.These results demonstrate the potential application of HEAs as a high-capacity hydrogen storage material with a large H/M ratio,which can be used in the deuterium storage field.

Structural and microwave absorption properties of CoFe_(2)O_(4)/residual carbon composites

Electromagnetic interference,which necessitates the rapid advancement of substances with exceptional capabilities for bsorbing electromagnetic waves,is of urgent concern in contemporary society.In this work,CoFe_(2)O_(4)/residual carbon from coal gasification fine slag(CFO/RC)composites were created using a novel hydrothermal method.Various mechanisms for microwave absorption,including conductive loss,natural resonance,interfacial dipole polarization,and magnetic flux loss,are involved in these composites.Consequently,compared with pure residual carbon materials,this composite offers superior capabilities in microwave absorption.At 7.76GHz,the CFO/RC-2 composite achieves an impressive minimum reflection loss(RL_(min))of-43.99 dB with a thickness of 2.44 mm.Moreover,CFO/RC-3 demonstrates an effective absorption bandwidth(EAB)of up to 4.16 GHz,accompanied by a thickness of 1.18mm.This study revealed the remarkable capability of the composite to diminish electromagnetic waves,providing a new generation method for microwave absorbing materials of superior quality.

Designing Electronic Structures of Multiscale Helical Converters for Tailored Ultrabroad Electromagnetic Absorption

Atomic-scale doping strategies and structure design play pivotal roles in tailoring the electronic structure and physicochemical property of electromagnetic wave absorption(EMWA)materials.However,the relationship between configuration and electromagnetic(EM)loss mechanism has remained elusive.Herein,drawing inspiration from the DNA transcription process,we report the successful synthesis of novel in situ Mn/N co-doped helical carbon nanotubes with ultrabroad EMWA capability.Theoretical calculation and EM simulation confirm that the orbital coupling and spin polarization of the Mn–N4–C configuration,along with cross polarization generated by the helical structure,endow the helical converters with enhanced EM loss.As a result,HMC-8 demonstrates outstanding EMWA performance,achieving a minimum reflection loss of−63.13 dB at an ultralow thickness of 1.29 mm.Through precise tuning of the graphite domain size,HMC-7 achieves an effective absorption bandwidth(EAB)of 6.08 GHz at 2.02 mm thickness.Furthermore,constructing macroscale gradient metamaterials enables an ultrabroadband EAB of 12.16 GHz at a thickness of only 5.00 mm,with the maximum radar cross section reduction value reaching 36.4 dB m2.This innovative approach not only advances the understanding of metal–nonmetal co-doping but also realizes broadband EMWA,thus contributing to the development of EMWA mechanisms and applications.

双偶氮苯-二苯并[b,i]噻蒽-[2,3-b]苯-5,7,12,14-四酮衍生物分子的二阶非线性光学性质

使用密度泛函理论(DFT)M06-2X方法、采用6-311+g(d,p)基组,分别对26个双偶氮-二苯并[b,i]噻蒽-[2,3-b]苯-5,7,12,14-四酮衍生物分子进行结构优化与频率计算;使用含时密度泛函理论(TD-DFT)TD-M06-2X方法计算了a1~d6分子的前线分子轨道与电子吸收光谱,采用有效场FF方法研究了二阶非线性光学性质(NLO).研究结果表明,26个噻蒽四酮类衍生物分子的能隙在1.33—2.02 eV范围,归属于有机半导体;最低能量吸收峰波长在601.8~609.5nm范围;在增大分子的二阶非线性光学系数β_(μ)(或β_(0))值方面,含相同偶氮苯基团或含不同偶氮苯基团分别引入到二苯并[b,i]噻蒽-[2,3-b]苯-5,7,12,14-四酮分子两侧的2,10位优于2,9位,在2,10位分别端接含推、拉基团的偶氮苯优于含相同给电子基团的偶氮苯.在偶氮苯苯环对位分别端接强吸电子基(-NO_(2))与强供电子基(如-N(CH_(3))_(2)、-N(Ph)_(3)、-N-苯基咔唑等)可增强体系的二阶非线性光学性能,获得性能良好的非线性光学材料.

聚乙烯醇对泡沫混凝土性能及孔结构的影响

以聚乙烯醇和普通硅酸盐水泥为主要原料,制备泡沫混凝土。研究了聚乙烯醇对泡沫混凝土力学性能、吸水率、干密度和孔结构的影响。结果表明,掺入适量聚乙烯醇可显著减小气孔的尺寸,优化孔径分布;掺入适量聚乙烯醇可以提高泡沫混凝土的抗压和抗折强度;聚乙烯醇可以降低泡沫混凝土的吸水率,并在一定程度上减小了泡沫混凝土的干密度。

Methodological study on endogenous calcium absorptivity using rats and 41Ca tracing

Elemental calcium plays an important role in human physiology. In order to study the relationship between Ca-intake, Ca-chemical formulation, and Ca-absorptivity, a balance experiment using a ^(41)Ca tracer technique in SD rats was conducted to measure the endogenous fecal calcium and true absorption of calcium. Apparent absorption of calcium was measured as a control to the endogenous calcium labeling experiment. These results show that by using ^(41)Ca labeled endogenous calcium in vivo, researchers could obtain the true calcium absorption data without extrinsic labeling. Therefore, the method was not affected by the chemical structure or type of calcium supplement and might be used in evaluating the absorptivity of marketed calcium supplements.

乙酰丙酮铱Ir(acac)_(3)电子结构及光学性质的理论研究

乙酰丙酮铱是一种由过渡金属Ir与乙酰丙酮酸(acetylcaetonato)有机部分组成的过渡金属有机配合物,它是一种重要的绿光磷光材料,同时其也是多种铱系发光材料的组成部分.采用密度泛函理论(DFT)对Ir(acac)_(3)单体及其二聚物的基态几何结构进行了优化,在此基础上考察了它们的振动和红外光谱,并使用CIS方法对它们的激发态性质进行了理论研究.计算得到的单体和二聚物的吸收光谱均在紫外波段,单体的主要吸收峰有260 nm,350 nm,414 nm,二聚物的主要吸收峰有299 nm,353 nm,401 nm.计算得到了二者在乙腈CH_(3)CN溶液中的吸收光谱,与它们气相情况的结果相比,溶剂极性的影响使得电子吸收谱发生蓝移.计算结果表明Horst Kunkely和Arnd Vogler所得光谱中既含有单体的特征光谱,又含有二聚体的特征光谱,证明实验溶液中同时存在乙酰丙酮铱的低聚物,并且二者的组分比能被合理推算.最后,对多聚体的形成机理作了简单讨论.

The Influence of the Solar Radiation Absorptivity up on the Outdoor Thermal Environment Evaluation Index and the Thermal Sensory Perceptions

When the thermal environment is under heated conditions, short-wavelength solar radiation shows a strong influence on the human body and the heat is accumulated in the human body. In order to demonstrate the effect of the short-wavelength solar radiation absorptivity of clothing on physiological temperature in an outdoor space, the relationship between the thermal environment evaluation index, ETFe, and the thermal sensory perceptions of the human body was investigated. A significant temperature difference of 2.7°C was shown for an ETFe that was thermally neutral (neither hot nor cold). The effect of short-wavelength solar radiation absorptivity was strongly apparent in ETFe when direct solar radiation was strong and in warmer outdoor spaces. In an outdoor space where the effect of the sky factor and albedo was strong, the setting of the short-wavelength solar radiation absorptivity was demonstrated to greatly impact the estimation of perceived and physiological temperature. When interviewing subjects on clothing in an outdoor space, it is essential to obtain the hue of clothing.

β CORRECTION SPECTROPHOTOMETRY FOR DETERMINATIONS OF COMPLEX RATIO OF METAL CHELATE AND ITS TRUE MOLAR ABSORPTIVITY

The mathematical equations of the effective percentage of a complexant and ite complex-ratio with a metal have been developed by means of the β-correction pinciple. From a real absorbance of the chelate produced,its true absorptivity can be determined accurately. The β-correction spectrophotometry was studied for the determinations of the desired parameters above, using the reaction of lead with Eriochrome Black T(EBT) at pll 8.2. The results show that the analytical sensitivity and precision by β-correction method are both mucb higher than those by the single wavelength method, the complex-ratio of Pb(Ⅱ) with EBT equals to 1:4 and the true molar absorptivity of Pb(EBT)4 chelate at 550 nm is 3.52,104 L.mol-1.cm-1.

Characterization on the Mean Molar Absorptivity of Amino Acids in Microbial Lipopeptides

The molar absorption coefficients of each of 14 kinds of amino acids were determined by the spectrophotometric method, and the mean molar absorption coefficients of 37 different mixtures of each with amino acid composition exactly equivalent to that of the peptide chain of the corresponding lipopeptide were determined based on calculation or experimental. The significance of the results is that the mean molar absorption coefficients strongly demonstrate the regular patterns, though different amino acids bear quite different molar absorption coefficients.