Identification of Phenolic Acid Derivatives in Danshen Using MS3 and MS2 Spectra Matching Strategy / 分析化学

"MS/MS spectrum to structure"plays a critical role in the confirmative identification of complicated matrices and is currently regarded as an extremely challenging endeavor.MS/MS information provides vital clues to structural identification.In this study,a strategy was proposed to facilitate unambiguous identification through matching MS3 with MS2 spectra.Initially,MS3 spectra of the featured ions(c-and y-type ions)generated by the decomposition of ester functional group in esters and the MS2 spectrum of the structural unit([M-H]-)were all captured on the Qtrap-MS platform equipped with two tandem-in-space collision cells,including the second quadrupole cell(q2)and linear ion trap(LIT)chambers(actually the third quadrupole unit).Subsequently,the MS/MS spectrum matching between MS3 spectra of the ester compound and MS2 spectra of the structural unit(s)were achieved.As a result,the findings corresponding to MS3 and MS2 spectra matching were summarized.Finally,based on HR-MS/MS information of total salvianolic acid derivatives(TSA),36 kinds of compounds were preliminarily identified through matching with literature information and database retrieval.The applicability of MS3 and MS2 spectra matching strategy was further justified by the confirmative identification of phenolic acid compounds(Rosmarinic acid and salvianolic acid B)in TSA.Above all,MS3 and MS2 spectra matching strategy was quite meaningful towards advancing"MS/MS spectrum to structure"analysis through recognizing and identifying featured fragment ions,and also provided inspiration and new insights for the structural characterization.

UV- Vis Shift reagent study on 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{(3,4,5- trihydroxy-6-(hydroxymethyl)tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone

We have studied the characteristic shift in absorption using versatile UV-Visible shift reagents for the compound I namely, 2- (3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydro-2H-2-pyranyl)oxy-4H-4 chromenone which was discovered earlier in our laboratory from the plant extract of Hibiscus calyphyllus flowers

Investigation of the influence of clathrate hydrate crystals on the structuring of homeopathic high dilutions

High dilutions (HD) of drugs used in homeopathy are mostly too dilute to contain original drug molecules. But evidences support their specific biological and therapeutic effects. The reason behind this is thought to be water structure characteristic of the original drug. Spectroscopic studies indicate that the specific water structure in HDs can be resolved into free water molecules, hydrogen bonding strength of water hydroxyl, number of hydrogen bonds and clathrate hydrate crystals (CHC). HDs are prepared in EtOH water solution by serial dilution and mechanical agitation, and are called potencies. The objective of the present study is to further confirm the presence of CHCs in the two potencies of three drugs. Electronic spectra of the HDs of the potencies indicate two broad peaks and marked difference in intensities of absorption. Furior Transform Infrared (FT-IR) spectra of the test potencies and their control show difference in intensity shift and contour shape of OH stretching and bending bands. All the experimental data indicate the presence of CHCs in varying amounts in the test potencies.

High Dilutions of Drugs show Distinct Variation from each other in their Electronic Spectra

Drugs at high dilution (HD) produce therapeutic effect on man, animals and plants. Experimental evidence shows that free water molecules and hydrogen bond strength of OH groups constitute the physical basis of HDs which are otherwise devoid of original drug molecules. HDs are produced in aqueous EtOH by serial dilution of a substance with mechanical agitation or succussion in each step, and are called potencies. Three potencies 6 cH, 12 cH and 30 cH of two drugs Anacardium orientale and Natrum muriaticum(NaCl) and their mother tincture (MT) are used in this study. Electronic spectra of these MTs and potencies, all in 90% EtOH, were taken in the wavelength region of 190 nm ­350 nm. The objective is to find out any additional physical-chemical entities in potencies besides the aforesaid two factors. It was reported earlier that charge transfer (CT) interaction accompanies potentization of drugs. This study focused on the CT interaction. The results indicate that spectral pattern and absorbance intensities of the test samples vary from each other. Natm 6cH (absorbance 0.30 at 196.53nm), 12cH (abs. 0.06 at 196.53nm) and 30cH (abs. 1.32 at 196.5nm). Anac 6cH (abs. 0.33 at 203nm), 12cH (abs. 0.61 at 208nm) and 30cH (abs. 0.09 at 200.67nm). The spectrum of each potency shows two peaks. The 2nd peak at higher wave length belongs to CT interaction. Anac 6cH suc, 7cH unsuc. Insersections at 197.14nm with abs. 0.05, and 290nm with abs. 0.01. Anac 12cH suc, 13cH unsuc. Intersections at 196.93nm with abs. 0.06, and 273nm with abs. 0.00. Anac 30cH suc, 31cH unsuc. Intersections at 194.42nm with abs. -0.05, 238.03nm with abs. -0.01, 252.15nm with abs. -0.002, and 261nm with abs. 0.004. Natm 6cH suc, 7cH unsuc. Intersection at 199.44nm with Abs -0.11. Natm 12cH suc, 13cH unsuc. Instersection at 200.48nm with abs. -0.11. Natm 30cH suc, 31cH unsuc. Intersection at 204.24nm with abs. -0.08. Potentization involves CT interaction in consecutive potencies. Water and EtOH do not form a homogeneous mixture and have aggregates of EtOHand water molecules. CT interactions occur in these individual aggregates and are mostly inter molecular within EtOH or water. These aggregates vary from each other in the test samples. The spectra of test samples were analysed for margin of error (MOE). The MOE is very small (0.001-0.002%), and for this reason the difference between the spectra is significant. Besides that the intersection between consecutive spectra vary in number and position. It is concluded that water and EtOH aggregates and their relative distribution constitute additional physical-chemical basis of potencies.

High dilutions of a drug of COVID-19 origin show difference in ranks

High dilutions (HDs) of drugs, used in Homeopathy, are prepared in aqueous EtOH (ethanol) through serial dilution accompanying mechanical agitation or succussion, and are called potencies. The potencies from the rank 12 onwards are too dilute to contain any original drug molecules. Do the potency ranks show any difference from each other? Do serial dilution and succussion contribute to the difference in potency ranks? This study aims to address these two questions. The throat swab of a Covid-19 patient was preserved and diluted with aqueous EtOH 90% to prepare the mother tincture (MT) and five different potencies of Covid named Covidinum. These potencies and their solvent media were analysed by electronic and vibrational spectroscopy. Charge transfer (CT) and proton transfer interactions occur during preparation of the potencies. The FT-IR spectra of all the test samples after normalization show difference from each other with respect to O-H stretching and bending (v2) bands. Serial dilution and succussion contribute to the observed difference in ranks and CT interactions.

Effect observation of different collection procedures of blood cell separator on collection of autologous peripheral blood hematopoietic stem cells in children / 白血病·淋巴瘤

Objective:To investigate the effect of different collection procedures of COBE Spectra blood cell separator on collection of autologous peripheral blood hematopoietic stem cells in children.Methods:The clinical data of 10 children who were collected autologous peripheral blood hematopoietic stem cells with the monocytes (MNC) or fully automatic peripheral blood stem cells (AutoPBSC) programs of COBE Spectra blood cell separator in the Children's Hospital of Soochow University from July 2018 to January 2020 were retrospectively analyzed, and the children were 3-10 years old with the body weight of 15-31kg. There were 5 cases in MNC group and 5 cases in AutoPBSC group.Results:Autologous peripheral blood hematopoietic stem cells were collected for 25 times, with an average of 2.5 times (1-4 times), 10 times in MNC group and 15 times in AutoPBSC group. The number of stem cells [the median (the range)] before collection was 19.3/μl (3.5-129.0/μl) in MNC group and 9.4/μl (2.2-38.7/μl) in AutoPBSC group. The number of CD34 + cells of single collection was 1.22×10 6/kg (0.18×10 6/kg-6.30×10 6/kg) in MCN group and 0.85×10 6/kg (0.13×10 6/kg-2.64×10 6/kg) in AutoPBSC group. Correlation analysis showed that there was a positive correlation between the number of collected CD34 + cells and the number of stem cells before collection (AutoPBSC group: r=0.921, P < 0.01; MNC group: r=0.833, P=0.003). The collection efficiency was 5.4% (3.4%-11.2%) in MNC group and 10.4% (4.7%-13.9%) in AutoPBSC group, and the difference was statistically significant ( Z=2.163, P = 0.031). Conclusion:The collection effect of children's autologous peripheral blood hematopoietic stem cells with COBE Spectra blood cell separator AutoPBSC program is better than that with MNC program.

The association of dosimetric quantities from computed tomography with operational factors: basis for optimization strategies / Asociación de magnitudes dosimétricas de tomografía computarizada con factores operacionales: bases para estrategias de optimización

Abstract Clinical Computed Tomography (CT) imaging is supported by a patient - technology - observers system. Such system involves dosimetric quantities associated with image quality descriptors, where operational factors are predictors. Knowledge of quantitative association between CT dosimetric and image quality quantities with systemic factors, provides the basis to devise scanner-specific optimization strategies. Kerma indexes were measured with a pencil ionization chamber free in air C a,100 and in phantom C pmma,x (x changes into c and p for center and periphery respectively). Polymethyl Methacrylate (PMMA) standard phantoms were used (diameters of 16 and 32 cm). Several operational factors of a Siemens Sensation 64 Cardiac were considered: estimated spectrums, tube potential F 8 (80 - 140 kV), tube current x time product F 1 (40 - 350 mAs) and total collimation at isocenter F 3 (2,7 - 19,2 mm). The water equivalent radius R w , an important factor for patient Size Specific Dose Estimators (SSDE), was estimated by taking into account the spectrums in each phantom. Average pixel noise was measured from Regions of Interest (ROIs) in water phantoms with radius of 2,5; 3; 6; 8 and 11,5 cm. A linear association was found between C pmma,p and C pmma,c . A dose reduction of C pmma,c = 2 mGy per tube rotation can be obtained from data analysis (head mode), with F 1 = 50 mAs, F 3 = 19,2 mm, resulting in average pixel noise of 20 Hounsfield Units (HU). Knowledge of noise association with C pmma,c provides a straightforward tool for quantitative optimization, considering a systemic approach, which includes patient - technology - observer factors.

Resumen La tomografía computarizada (TC) clínica se basa en un sistema paciente - tecnología - observador. Dicho sistema incluye magnitudes dosimétricas asociadas a descriptores de calidad, donde los factores operacionales son predictores. Conocer la asociación cuantitativa entre magnitudes dosimétricas y de calidad de imagen con factores sistémicos, provee la base para concebir estrategias de optimización específicas por tomógrafo. Se midieron índices de kerma en aire C a,100 y en maniquí C pmma,x (x cambia a c y p para centro y periferia respectivamente) con una cámara de ionización tipo lápiz. Se utilizaron maniquíes de Polimetil Metacrilato (PMMA) con diámetros de 16 y 32 cm. Se consideraron factores operacionales de un equipo Siemens Sensation 64 Cardiac: espectros estimados, tensión del tubo F 8 (80 - 140 kV), producto corriente x tiempo de exposición F 1 (40 - 350 mAs) y colimación total en isocentro F 3 (2,7 - 19,2 mm). El radio agua-equivalente R w es un factor importante para Estimadores de Dosis Específicos del paciente (SSDE), se estimó teniendo en cuenta el espectro en cada maniquí. El ruido promedio de píxel se midió en regiones de interés (ROIs) de imágenes de maniquíes de agua con radios de 2,5; 3; 6; 8 y 11,5 cm. Se encontró una asociación lineal entre C pmma,p y C pmma,c . Se describe una reducción de dosis a C pmma,c = 2 mGy por rotación del tubo mediante el análisis de datos (modo cabeza), con F 1 = 50 mAs, F 3 = 19,2 mm, resultando en un ruido promedio de píxel de 20 Unidades Hounsfield (UH).

Derivative Uv Spectroscopic Approaches In Multicomponent Analysis–A Review

The spectrophotometric multi-component analysis involves spectrum recording and mathematical equations. However, spectral interference poses a major limitation when mixture samples are encountered. To overcome this derivative spectrophotometry (DS) has been introduced for the resolution of overlapping peaks. In this review modified methods like derivative quotient spectra, double divisor ratio spectra derivative method, double divisor means centering of ratio spectra method, derivative subtraction coupled with the constant multiplication method (DS-CM), amplitude subtraction (AS), modified amplitude subtraction (MAS), amplitude factor method (P-Factor), amplitude modulation method (AM), amplitude summation method (A-Sum), simultaneous derivative ratio spectrophotometry (S1DD), derivative compensation ratio via regression equation, differential dual wavelength (D1 DWL), differential derivative ratio (D1DR), successive derivative subtraction method (SDS) and derivative transformation (DT) of derivative spectrophotometry theories and applications are reviewed. These methods were applied to solve different complex pharmaceuticals mixtures. These developed methods were simple and cost-effective.

Nuclear magnetic resonance based structure of the protoberberine alkaloid coralyne and its self-association by spectroscopy techniques / 药物分析学报

Coralyne is an important alkaloid due to its anti-cancer and other medicinal properties. It targets DNA in cells and acts as human topoisomerase-I poison, telomerase inhibitor and nucleic acid intercalator. It has high tendency to undergo self-association, which is a matter of concern for therapeutic applications. The understanding of its interaction with DNA requires precise knowledge of chemical shifts in Nuclear Magnetic Resonance (NMR) spectra besides self-association. The present study is the first report of a complete assignment of all 1H/13C resonances in NMR spectra of coralyne in DMSO-d6 using one dimensional 1H/13C and two dimensional NMR experiments. The chemical shift of all proton and several 13C resonances have also been obtained in D2O and ethanol-d6. The same has been calculated using Density Functional Theory (DFT). NMR spectra of coralyne show upfield shift of 0.6-1.2 ppm in aromatic ring protons suggesting stacking interactions. Apart from 11 intra molecular NOE cross peaks in 2D 1H-1H ROESY spectra, 3 short distance NOE correlations, H6-10OCH3, H5-10OCH3 and H12-16CH3, give direct independent evidence of the formation of a stacked dimer. The absorbance, fluorescence, circular dichroism and fluorescence lifetime experiments conducted in the present investigations corroborate results obtained by NMR.

Three-dimensional mapping of intertrochanteric fracture lines / 中华医学杂志(英文版)

Background@#Available research about the anatomic patterns of intertrochanteric fractures is lacking, and fracture mapping has not previously been performed on intertrochanteric fractures. This study aimed to determine the major trajectories of intertrochanteric fracture lines using computed tomography data from a series of surgically treated patients.@*Methods@#In this study, 504 patients with intertrochanteric fractures were retrospectively analyzed. Fracture patterns were graded according to Arbeitsgemeinschaft für Osteosynthesefragen (AO) classification. Fracture lines were transcribed onto proximal femoral templates and graphically superimposed to create a compilation of fracture maps that were subsequently divided into anterior, posterior, lateral, and medial fracture maps to create a three-dimensional (3D) pattern by reducing fragments in the 3D models. The fracture maps were then converted into frequency spectra. The major fracture patterns were assessed by focusing on the lateral femoral wall, lesser trochanter, intertrochanteric crest, and inner cortical buttress.@*Results@#Anterior, posterior, lateral, and medial fracture maps were created. The majority of fracture lines (85.9%, 433/504) on the anterior maps were along the intertrochanteric line where the iliofemoral ligament was attached. In the medial plane, the majority of fracture lines (49.0%, 247/504) shown on the frequency spectrum included the turning point involving the third quadrant. In the posterior plane, the majority of fracture lines (52.0%, 262/504) involved the intertrochanteric crest from the greater to the lesser trochanter. In the lateral plane, the majority of fracture lines (62.7%, 316/504) involved the greater trochanter at the gluteus medius attachment.@*Conclusions@#The fracture patterns observed in the present study might be used to describe morphologic characteristics and aid with management strategies. Further classifications or modifications that incorporate the fracture patterns identified in this study may be used in future research.

Application of fiber Raman endoscopic probe in the diagnosis of gastric cancer / 南方医科大学学报

OBJECTIVE@#To develop a fiber Raman endoscopic probe that can be integrated in a gastroscope and evaluate its value in the diagnosis of gastric cancer.@*METHODS@#The Raman spectra of gastric cancer tissues and normal tissues were obtained using the fiber Raman endoscopic probe and confocal microRaman spectroscopy. After preprocessing with smoothing, baseline elimination and normalization, the spectroscopic data were analyzed by the principle component analyses combined with stechiometry. Based on the pathological results, the diagnostic accuracy, sensitiveness and specificity of Raman spectroscopy combined with stechiometry were evaluated.@*RESULTS@#The fiber Raman endoscopic probe and microRaman spectroscopy revealed significantly different Raman spectra between gastric cancer tissues and normal tissues. The diagnostic accuracy, sensitiveness and specificity of the fiber Raman endoscopic probe was 80.56%, 88.89%, and 84.72% for gastric cancer, respectively.@*CONCLUSIONS@#The fiber Raman endoscopic probe combined with stechiometry provides an effective modality for the diagnosis of gastric cancer and can well distinguish gastric cancer tissue from normal gastric tissues.

Study of charge sharing effect and energy resolution of the Timepix hybrid detector based on gallium arsenide compensated with chromium / Estudio del efecto de compartición de cargas y la resolución energética del detector híbrido Timepix de arseniuro de galio compensado con cromo

Abstract Among the latest ionizing radiation detectors, those based on chromium compensated gallium arsenide (GaAs:Cr) are ones of the most competitive for many applications due to their high Z and strong resistance to radiation damage. They have been used in high energy physics research, medical visualization and spatial technologies, geological prospecting, among other advanced fields. The object of this work is a 900 µm GaAs:Cr detector with Timepix readout technology. Some detector characteristics for three experimental conditions were measured and studied by using the X-rays from a synchrotron and an X-ray tube provided with different materials for obtaining the corresponding fluorescence photons. A complex function was used to decompose the differential spectra into the most important contributions involved. As an additional tool for the research, the mathematical modeling of the mobility of charge carriers generated by radiation within the active volume of the detector was used. The results of these charge sharing effect studies showed a noticeable prevalence in the detector of this effect, changing its contribution according to the experiment characteristics. The detector was calibrated for the planned experiments and the energy resolution was determined. From the analysis of all the obtained results and their comparison with those reported in literature, it was confirmed that the detector has a marked charge-sharing effect between neighboring pixels, being its performance more impaired as the energy of incident photons increases.

Resumen Entre los últimos detectores de radiación ionizante, los basados ​​en arseniuro de galio compensado con cromo (GaAs: Cr) son de los más competitivos para muchas aplicaciones debido a su alto Z y fuerte resistencia al daño de la radiación. Se han utilizado en investigación de física de alta energía, visualización médica y tecnologías espaciales, prospección geológica, entre otros campos avanzados. El objeto de este trabajo es un detector de GaAs: Cr de 900 µm con tecnología de lectura Timepix. Algunas características del detector para tres condiciones experimentales se midieron y estudiaron utilizando rayos X de un sincrotrón y un tubo de rayos X provisto de diferentes materiales para obtener los fotones de fluorescencia correspondientes. Se utilizó una función compleja para descomponer los espectros diferenciales en las contribuciones más importantes involucradas. Como herramienta adicional para la investigación, se utilizó el modelado matemático de la movilidad de los portadores de carga generados por la radiación dentro del volumen activo del detector. Los resultados de estos estudios de efecto de carga compartida mostraron una prevalencia notable en el detector de este efecto, cambiando su contribución según las características del experimento. El detector se calibró para los experimentos planificados y se determinó la resolución de energía. A partir del análisis de todos los resultados obtenidos y su comparación con los reportados en la literatura, se confirmó que el detector tiene un marcado efecto de reparto de carga entre píxeles vecinos, y su rendimiento se ve más afectado a medida que aumenta la energía de los fotones incidentes.

Microscopic description of low-lying properties in 168≤A≤170 Yb nuclei by the pseudo-SU(3) shell model / Descripción microscópica de las propiedades de baja energía de los núcleos 168≤A≤170 Yb usando el modelo pseudo-SU(3)

Abstract The rare-earth nuclei have well-known collective properties. The theoretical description of these nuclei represents a challenge to nuclear models, due to the enormous dimensions of the valence space, making the problem unmanageable. This leads us to use symmetry-based models, where it is possible to calculate in a free-truncation environment. In this work we present results for the energy spectrum and the electromagnetic properties in even-even Yb isotopes using the pseudo-SU(3) shell model. The model considers a Nilsson Hamiltonian that additionally includes the quadrupole-quadrupole and pairing interactions, systematically parameterized. The results show that the model considered is a powerful theoretical tool, allowing us to describe the normal parity sector of deformed rare earth nuclei.

Resumen Las propiedades colectivas de los núcleos de las tierras raras están muy bien determinadas. La descripción teórica de estos núcleos representa un desafío para cualquier modelo nuclear debido a las dimensiones excesivas del espacio de valencia, lo que vuelve el problema inmanejable. Esto nos lleva a emplear modelos basados en simetrías, donde es posible realizar cálculos sin truncamiento del espacio. En este trabajo se presentan resultados para el espectro energético y las propiedades electromagnéticas en isótopos para-par de iterbio, utilizando el modelo de capas pseudo-SU(3). El modelo considera el hamiltoniano de Nilsson, al que adicionalmente se le han incluido las interacciones cuadrupolo-cuadrupolo y de apareamiento, parametrizadas de forma sistemática. El resultado muestra que el modelo utilizado es una herramienta poderosa que permite describir el sector de paridad normal del espectro de núcleos deformados de las tierras raras.

Charmonium: comparison between potential models / Charmonio: comparación entre modelos potenciales

Abstract Heavy quark c c ¯ has been studied in the non relativistic framework using a quark-quark potential as a sum of power of the corresponding distance. The form of potential is based on phenomenological facts. The problem was solved numerically using a program written on C++. Mass spectra and the expectation value of the radius have been estimated for different quantum-mechanical states for c c ¯ system. The results have been compared with other similar and recent works. The mass spectra obtained is in acceptable agreement with the experimental data for c c ¯.

Resumen El sistema de quarks pesados c c ¯ ha sido estudiado en el marco no relativista usando un potencial quark-quark de la forma de la suma de potencias de la distancia entre las partículas. El problema se resolvió numéricamente usando un programa escrito en C++. Se estimaron el espectro de masa y el valor esperado del radio para diferentes estados de excitación. Los resultados fueron comparados con otros trabajos similares recientes. El espectro de masa obtenido concuerda de manera aceptable con los datos experimentales para el sistema c c ¯.

Clustering in light nuclei and their effects on fusion and pre-equilibrium processes / Agrupamiento de núcleos ligeros y sus efectos en la fusión y procesos de pre-equilibrio

Summary The study of heavy ion nuclear reactionis an important tool to observe and disentangle different and competing mechanisms, which may arise in the different energy regimes. In particular, at relatively low bombarding energy, it is quite interesting the comparison between pre-equilibrium and thermal emission of light charged particles from hot nuclear systems [1-6]. Indeed, the nuclear structure of the interacting partners can be strongly correlated to the dynamics, especially at energies close to the Coulomb barrier, and this effect emerges when some nucleons or clusters of nucleons are either emitted or captured. In particular, a major attention has been devoted, in the last years, to the possible observation of cluster structure effects in the competing nuclear reaction mechanisms, especially when fast processes are involved. At this purpose, the four reactions 16O+30Si at 111 MeV, 16O+30Si at 128 MeV, 18O+28Si at 126 MeV, 19F+27Al at 133 MeV have been measured to study the onset of pre-equilibrium in an energy range where, for central collisions, complete fusion is expected to be the predominant mode. Experimental data were collected using the GARFIELD + RCo array [7], fully equipped with digital electronics at the LegnaroNational Laboratories. The comparison between experimental data and different model predictions have been performed: in particular, both dynamical models based either on Stochastic Mean Field (TWINGO) or Anti-symmetrized Molecular Dynamics and fully statistical models (GEMINI++) have been considered. Simulated events are filtered through a software replica of the apparatus, to take into account all possible distortions of the experimental distributions due to the finite size of the apparatus.

Resumen El estudio de la reacción nuclear iónica pesada es una herramienta importante para observar y esclarecer los diferentes mecanismos que compiten entre sí, que pueden surgir en los diferentes regímenes energéticos. En particular, a una energía de bombardeo relativamente baja, es bastante interesante la comparación entre el preequilibrio y la emisión térmica de partículas ligeras cargadas por sistemas nucleares calientes [1-6]. De hecho, la estructura nuclear del grupo que interactúa puede estar fuertemente correlacionada con la dinámica, especialmente en energías cercanas a la barrera de Coulomb, y este efecto surge cuando se emiten o capturan algunos nucleones o grupos de nucleones. En particular, se ha dedicado una gran atención, en los últimos años, a la posible observación de los efectos de la estructura del agrupamiento en los mecanismos de reacción nuclear competitivos, especialmente cuando se trata de procesos rápidos. Para este propósito, las cuatro reacciones 16O + 30Si a 111 MeV, 16O + 30Si a 128 MeV, 18O + 28Si a 126 MeV, 19F + 27Al a 133 MeV se han medido para estudiar el inicio del preequilibrio en un rango de energía en el cual, para colisiones centrales, se espera que la fusión completa sea el modo predominante. Los datos experimentales se recogieron utilizando la matriz GARFIELD + RCo [7], totalmente equipada con electrónica digital en los Laboratorios Nacionales Legnaro. La comparación entre los datos experimentales y las diferentes predicciones de modelos se han llevado a cabo: en particular, se han considerado los modelos dinámicos basados en el Campo Medio Estocástico (TWINGO) o Dinámica Molecular Antisimétrica y modelos completamente estadísticos (GEMINI ++). Los eventos simulados se filtran a través de una réplica de software del aparato, para tener en cuenta todas las posibles distorsiones de las distribuciones experimentales debido al tamaño finito del aparato.

Heavy-ion induced two-neutron transfer reactions and the role of pairing / Reacciones de transferencia de dos neutrones inducidas por iones pesados y el papel del apareamiento

Abstract Heavy-ion induced two-neutron transfer reactions (18O,16O) at 84 MeV were studied on several targets up to high excitation energy of the residual nucleus thanks to the use of the MAGNEX magnetic spectrometer to detect the ejectiles. The obtained results indicate of the important role played by the nuclear paring.

Resumen Se estudiaron reacciones de transferencia de dos neutrones inducidas por iones pesados (18O, 16O) a 84 MeV en varios blancos hasta una alta energía de excitación del núcleo residual gracias al uso del espectrómetro magnético MAGNEX para detectar los residuos eyectados. Los resultados obtenidos indican el importante papel desempeñado por el apareamiento nuclear.

Wavelet based features of EEG power spectra analysis in children with borderline intellectual functioning / 中华行为医学与脑科学杂志

Objective@#To investigate the features of absolute electroencephalogram (EEG) power spectra in children with borderline intellectual functioning (BIF) as well as their correlation with cognitive function and behavioral problems.@*Methods@#30 children with borderline intellectual functioning and 42 typical developing children (TDC) were recruited in this study. All of them underwent the Chinese Revised Wechsler Intelligence Scale for Children (C-WISC) and their behavioral problems were assessed according to the Conners’ Parent Symptom Questionnaire (PSQ). Resting EEG of 128 electrodes were recorded when the participants closed their eyes and analyzed using wavelet transform to assess the absolute power of alpha, beta, theta, gamma and theta/beta ratio (TBR).@*Results@#(1)PSQ scores of BIF (conduct problems(0.78±0.16), learning problems(1.53±0.14), psychosomatic disorder(0.17±0.04), impulsivity-hyperactivit(1.13±0.14), anxious(0.52±0.08), hyperactivity inde(1.04±0.10))were higher than TDC(conduct problems(0.21±0.03), learning problems(0.35±0.05), psychosomatic disorder(0.07±0.02), impulsivity-hyperactivit(0.27±0.05), anxious(0.26±0.03), hyperactivity index(0.25±0.04)), and the difference was statistically significant(P<0.05). (2)alpha band: the main effects of the two groups on the left and right hemisphere (F=14.44, P<0.01)and the anterior and posterior hemispheres (F=29.54, P<0.01) were significant.The interaction effect between the left and right hemisphere and the anterior and posteriorm hemispheres was significant(F=8.55, P<0.01). The activity of the alpha wave was significant in the right posterior hemisphere.(3)The main effects of the two groups on the left and right hemispheres (F=6.49, P=0.01)and the anterior and posterior hemispheres(F=8.01, P=0.01) were significant.The two groups had significant interaction effects between the left and right hemisphere and the type(F=5.84, P=0.02). The interaction between the left and right hemisphere and anterior and posterior hemispheres was significant(F=10.51, P<0.01). The activity of the right anterior and right posterior parts was more significant.(4)delta band: the main effects of the two groups were significant in the anterior and posterior hemispheres(F=11.15, P<0.01), and the activities in the anterior hemisphere were larger than those in the posterior hemisphere.(5)TBR: the main effects of the two groups were significant in the anterior and posterior hemispheres(F=4.80, P=0.03). The TBR of the two groups was statistically significant in the right hemisphere(t=2.61, P=0.01).@*Conclusion@#The TBR activity of BIF on the right was higher than TDC.The increased TBR activity in the right hemisphere of BIF may be a neurobiological basis for cognitive impairment such as adaptive behavior disorder and executive function.

Binding interaction of harpagoside and bovine serum albumin: spectroscopic methodologies and molecular docking / 中国中药杂志

Scrophularia ningpoensis has exhibited a variety of biological activities and been used as a pharmaceutical product for the treatment of inflammatory ailment, rheumatoid arthritis, osteoarthritis and so on. Harpagoside (HAR) is considerer as a main bioactive compound in this plant. Serum albumin has important physiological roles in transportation, distribution and metabolism of many endogenous and exogenous substances in body. It is of great significance to study the interaction mechanism between HAR and bovine serum albumin (BSA). The mechanism of interaction between HAR and BSA was investigated using 2D and 3D fluorescence, synchronous florescence, ultraviolet spectroscopy and molecular docking. According to the analysis of fluorescence spectra, HAR could strongly quench the fluorescence of BSA, and the static quenching process indicated that the decrease in the quenching constant was observed with the increase in temperature. The magnitude of binding constants (KA) was more than 1×10⁵ L·mol⁻¹, and the number of binding sites(n) was approximate to 1. The thermodynamic parameters were calculated through analysis of fluorescence data with Stern-Volmer and Van't Hoff equation. The calculated enthalpy change (ΔH) and entropy change (ΔS) implied that the main interaction forces of HAR with BSA were the bonding interaction between van der Waals forces and hydrogen. The negative values of energy (ΔG) demonstrated that the binding of HAR with BSA was a spontaneous and exothermic process. The binding distance(r) between HAR and BSA was calculated to be about 2.80 nm based on the theory of Frster's non-radiation energy transfer, which indicated that energy is likely to be transfer from BSA to HAR. Both synchronous and 3D florescence spectroscopy clearly revealed that the microenvironment and conformation of BSA changed during the binding interaction between HAR and BSA. The molecular docking analysis revealed HAR is more inclined to BSA and human serum albumin (HSA) in subdomain ⅡA (Sudlow's site I). This study will provide valuable information for understanding the action mechanism of HAR.

Experimental studies on anti-fatigue effects and spectra-effect relationship of different extracts from black Lepidium meyenii (Maca) / 中草药

Objective To investigate the anti-fatigue effects and the relationship between UPLC and anti-fatigue effects of different extracts of black Maca, and to provide a basis for clarifying the material basis of anti-fatigue effects of black Maca. Methods Anti- fatigue effects of eight different extracts of black Maca were evaluated through exhaustive swimming time, contents of liver glycogen, and lactic acid in serum; UPLC-Q-TOF/MS was applied to establish the fingerprints for black Maca from eight extracts; Using the anti-fatigue effects of exhaustive swimming experiment as pharmacodynamic indicators, spectra-effect relationship was analyzed by using PLSR. Results 60%, 80%, and 95% ethanol extracts of black Maca could significantly prolong the exhaustive swimming time of mice, with the effects of 95% ethanol extract of black Maca was the strongest; The treatment of 80% ethanol extract of black Maca significantly increased the level of depressed hepatic glycogen due to excessive exercise; Moreover, 95% ethanol extract of black Maca substantially decreased the serum lactic acid accumulation after loaded-swimming. A total of 23 characteristic peaks were characterized by HPLC fingerprints of eight different extracts of black Maca. N-benzylhexadecanamide, N-benzyl-5-oxo-6E,8E-octadecadienamide, 1,3-dibenzyl-2-phenyl-4,5-dimethylimidazilium, and N-octadecanamide were found to be positively related to the anti-fatigue effects with VIP > 1 in extracts of black Maca from PLSR analysis by using anti-fatigue effects of exhaustive swimming time as pharmacodynamic indicators. Conclusion 95% and 80% ethanol extracts of black Maca showed the obvious anti-fatigue function. It is clear that four components N-benzylhexadecanamide, N-benzyl-5-oxo-6E,8E-octadecadienamide, 1,3-dibenzyl-2-phenyl-4,5-dimethylimidazilium, and N-octadecanamide are the principal anti-fatigue substances in black Maca. The study has the contribution to to explore the material basis of anti-fatigue effects and provides new ideas for the omprehensive and reliable quality control of black Maca.

Modeling extraction process of Salvia miltiorrhiza based on multi-source information fusion technology / 中草药

Objective: The potency of multi-source information fusion technology was explored to improve the model calibration and prediction performance of Chinese medicine extraction process. Methods: The ethanol extraction process for isolating fat-soluble components from Salvia miltiorrhiza was taken as the research carrier. S. miltiorrhiza from different sources were collected to simulate the fluctuation of materials. The changes of process parameters were simulated by design of experimental (DOE), and the process near infrared spectra (NIRS) were used as the process state variables. The contents of tanshinone IIA, cryptotanshinone, and tanshinone I were determined by HPLC. The raw material properties, process parameters and process state variables were combined as independent variables. The content of effective components in the extract was taken as the dependent variable. The partial least squares (PLS) algorithm was used to establish the quality prediction model of the extracts. Results: The modeling results respectively showed that the RMSECV was 0.172 8 mg/g, RMSEP was 0.031 7 mg/g, RPD was 6.91 (tanshinone IIA); RMSECV was 0.153 4 mg/g, RMSEP was 0.024 2 mg/g, RPD was 4.02 (cryptotanshinone); RMSECV was 0.117 1 mg/g, RMSEP was 0.043 2 mg/g, RPD was 4.76 (tanshinone I). Conclusion: The calibration and prediction performance of multi-source information fusion model are better than the conventional model, which can effectively improve the quality predictability and controllability of S. miltiorrhiza extract.