(1-3)-β-D葡聚糖联合降钙素原、CD4^(+)T淋巴细胞多指标在艾滋病患者马尔尼菲篮状菌感染早期诊断临床研究

目的探讨(1-3)-β-D葡聚糖联合降钙素原(procalcitonin,PCT)、CD4^(+)T淋巴细胞多指标在艾滋病患者马尔尼菲篮状菌感染早期诊断临床研究。方法回顾性选取我院2020年1月—2022年6月住院的120例艾滋病患者为研究对象。依据实验室结果,将其分为马尔尼菲篮状菌感染确诊组(血或组织液培育养出马尔尼菲篮状菌),简称A组(62例),及马尔尼菲篮状菌感染临床诊断组[根据临床症状、体征、血常规及(1-3)-β-D葡聚糖、PCT、CD4^(+)T淋巴细胞多指标诊断],简称B组(58例)。检测患者(1-3)-β-D葡聚糖、PCT、CD4^(+)T淋巴细胞的表达水平,采用受试者工作特征(receiver-operating characteristic,ROC)曲线下面积(area under the curve,AUC)评估上述指标联合检测对艾滋病患者感染马尔尼菲篮状菌的诊断效能。结果A组的(1-3)-β-D葡聚糖和PCT水平均高于B组,CD4^(+)T淋巴细胞个数低于B组(P<0.05);(1-3)-β-D葡聚糖、PCT、CD4^(+)T淋巴细胞联合检测的AUC为0.933,(1-3)-β-D葡聚糖单独检测的AUC是0.812,PCT单独检测的AUC为0.883,CD4^(+)T淋巴细胞单独检测的AUC是0.810,(1-3)-β-D葡聚糖、PCT和CD4^(+)T淋巴细胞联合检测的AUC皆优于三项单独检测,表明(1-3)-β-D葡聚糖、PCT和CD4^(+)T淋巴细胞联合检测的诊断价值皆优于单一指标诊断,且联合检测的特异度、约登指数分别为92.43%和0.580,均高于三项单独检测。结论(1-3)-β-D葡聚糖联合PCT和CD4^(+)T淋巴细胞多指标对艾滋病马尔尼菲篮状菌感染具有非常高的临床诊断价值,能够帮助医生分析出高危风险患者,及时制定治疗方案,同时也承担预后效果的判断依据,对治疗艾滋病马尔尼菲篮状菌感染具有非常重要的研究价值。

1例RHD-CE(3-7)-D基因重组与RHCE变异型患者的血清学与分子生物学分析

目的 研究分析1例Rh血型弱D、弱cE患者的血清学与分子生物学特征,为该类患者的临床安全输血提供实验依据。方法 采用微柱凝胶卡法对患者红细胞进行ABO、RhDCcEe抗原的鉴定,同时采用试管法进行血型复核,抗人球蛋白卡法筛查不规则抗体;采用PCR-SSP法对RhDCcEe(RhD、RhC、Rhc、RhE、Rhe)基因型进行检测;三代全长测序技术对RHD/RHCE基因序列进行测序分析。结果 微柱凝胶卡法鉴定ABO、RhD、RhCcEe血型抗原的结果为:A抗原(-)、B抗原(-)、RhD(1+)、RhC(4+)、Rhc(1+)、RhE(1+)、Rhe(4+)、对照孔(-);试管法ABO、RhD、RhCcEe抗原鉴定该患者表型为:A抗原(-)、B抗原(-)、RhD(w+)、RhC(4+)、Rhc(w+)、RhE(w+)、Rhe(4+),对照管(-);抗人球蛋白卡法筛查患者不规则抗体阴性;PCR-SSP法血型基因分型RhDCcEe结果:RhD(+)、RhC(+)、Rhc(+)、RhE(+)、Rhe(+);RHD/RHCE基因结果:RHD单倍体1为外显子1-10全缺失,而单倍体2为外显子RHD-CE基因重组融合,且确认其重组类型为RHD-CE(3-7)-D,起点在外显子2(g.20238-20312之间),终点在外显子8(g49184-50480之间),同时RHCE基因第6外显子存在新碱基点突变RHCE*cE(827C>A)。结论RHD-CE(3-7)-D基因重组融合与RHCE*cE(827C>A)新等位基因突变可能引起D、cE血型抗原弱表达,为临床安全输血提供了重要的实验数据支持。

基于二萘并[2,3-B∶2′,3′-D]呋喃基团的高效窄发射蓝光OLED器件

高效率窄光谱蓝色有机电致发光器件(OLED)是柔性显示领域的研究重点之一。本文以二萘并[2,3-B∶2′,3′-D]呋喃为弱电子受体、N-(4-联苯基)-1-萘胺作为电子给体设计合成了一种D-A-D型蓝光分子DPF-NA,其在正己烷溶液中的发射峰位于441 nm。理论计算与光物理测试结果显示DPF-NA具有杂化局域电荷转移激发态(HLCT)特性,兼具局域态(LE)高发光效率与电荷转移态(CT)高激子利用率特征,在二氯甲烷溶液中的光致发光量子效率(PLQY)为81.2%。基于质量分数3%DPF-NA掺杂浓度的OLED器件电致发光(EL)峰位于455 nm,半峰宽(FWHM)仅为26 nm,CIE(x,y)坐标为(0.14,0.08),最大外量子效率(EQEmax)为6.76%。

First-Principles Investigation of Charge Transfer Mechanism of B-Doped 3C-SiC Semiconductor Material

This study delves into the charge transfer mechanism of boron (B)-doped 3C-SiC through first-principles investigations. We explore the effects of B doping on the electronic properties of 3C-SiC, focusing on a 12.5% impurity concentration. Our comprehensive analysis encompasses structural properties, electronic band structures, and charge density distributions. The optimized lattice constant and band gap energy of 3C-SiC were found to be 4.373 Å and 1.36 eV respectively, which is in agreement with previous research (Bui, 2012;Muchiri et al., 2018). Our results show that B doping narrows the band gap, enhances electrical conductivity, and influences charge transfer interactions. The charge density analysis reveals substantial interactions between B dopants and surrounding carbon atoms. This work not only enhances our understanding of the material’s electronic properties, but also highlights the importance of charge density analysis for characterizing charge transfer mechanisms and their implications in the 3C-SiC semiconductors.

New 4-imino-4H-Chromeno[2,3-d]Pyrimidin-3(5H)-Amine: Synthesis, Cytotoxic Effects on Tumoral Cell Lines and in Silico ADMET Properties

The synthesis of new 4-imino-4H-chromeno[2,3-d]pyrimidin-3(5H)-amine in four steps including one step under microwave dielectric heating is reported. The structural identity of the synthesized compounds was established according to their spectroscopic analysis, such as FT-IR, NMR and mass spectroscopy. These new compounds were tested for their antiproliferative activities on seven representative human tumoral cell lines (Huh7 D12, Caco2, MDA-MB231, MDA-MB468, HCT116, PC3 and MCF7) and also on fibroblasts. Among them, only the compounds 6c showed micromolar cytotoxic activity on tumor cell lines (1.8 50 50 > 25 μM). Finally, in silico ADMET studies ware performed to investigate the possibility of using of the identified compound 6c as potential anti-tumor compound.

血浆(1-3)-β-D葡聚糖诊断新生儿侵袭性真菌感染的价值

探讨在针对新生儿侵袭性真菌感染的诊断中使用血浆(1-3)-β-D葡聚糖能够产生的诊断效能。方法 选取2021年1月到2022年2月因为侵袭性真菌感染于医院寻求医疗干预的新生儿总共60例作为本次研究的一部分研究对象记为1组;另外选取60例健康婴儿作为2组;统计、对比两组患者的血浆(1-3)-β-D葡聚糖水平、CD4+T淋巴细胞数水平;整理PCR技术针对1组患者诊断结果,将其与血浆(1-3)-β-D葡聚糖诊断侵袭性真菌感染的诊断效能进行对比。结果 研究结果显示1组患者的血浆(1-3)-β-D葡聚糖水平、CD4+T淋巴细胞数水平较之于2组患者存在明显差异,1组患者血浆(1-3)-β-D葡聚糖水平更高,而CD4+T淋巴细胞数水平明显更低;P<0.05。在针对诊断效能的考察上,血浆(1-3)-β-D葡聚糖诊断效能和PCR诊断结果之间在灵敏度、特异度方面差异不大,P>0.05。结论 针对罹患侵袭性真菌感染的新生儿使用血浆(1-3)-β-D葡聚糖进行检查,一定程度上能够确保诊断结果的严谨程度,可使用。

血浆(1,3)-β-D葡聚糖检测在侵袭性真菌感染诊断中的价值分析

研究血浆(1,3)-β-D葡聚糖检测技术(G实验)应用于侵袭性真菌感染(IFI)诊断中的应用价值。方法 选择我院在2023年1月至2024年1月期间收治的100例高危型侵袭型真菌感染患者,应用MB-80微生物快速检测动态系统以及对应的试剂对患者的血浆(1,3)-β-D葡聚糖进行检测,分析真菌培养、G实验和联合检测结果;三种方法的诊断效能;三种方法的ROC曲线。结果 确诊IFI阳性共28例,阴性共72例;联合检测的诊断效能高于真菌培养或者G实验。联合检测面积高于单一检测。结论 在侵袭性真菌感染的诊断中,应用血浆(1,3)-β-D葡聚糖检测,诊断效能良好,在和传统真菌培养技术联合检测下,可进一步提升诊断效能。

Structural,electronic,and Li-ion mobility properties of garnet-type Li_(7)La_(3)Zr_(2)O_(12) surface:An insight from first-principles calculations

Garnet-type Li_(7)La_(3)Zr_(2)O_(12)(LLZO) is a promising solid-state electrolyte for Li-ion batteries,but Li-dendrite's formation greatly limits the applications.In this paper,we systematically investigate the stability,electronic properties,and Li-ion mobility of the LLZO surface by the ifrst-principles calculations.We consider the(110) and(001) slab structures with different terminations in the t-and c-LLZO.Our results indicate that both(110) and(001) surfaces prefer to form Li-rich termination due to their low surface energies for either t-or c-LLZO.Moreover,with the decrease of Li contents the stability of Li-rich surfaces is improved initially and degrades later.Unfortunately,the localized surface states at the Fermi level can induce the formation of metallic Li on the Li-rich surfaces.In comparison,Li/La-termination has a relatively low metallic Li formation tendency due to its rather low diffusion barrier.In fact,Li-ion can spontaneously migrate along path II(Li3→Li2) on the Li/La-T(001) surface.In contrast,it is more difficult for Li-ion diffusion on the Li-T(001) surface,which has a minimum diffusion barrier of 0.50 eV.Interestingly,the minimum diffusion barrier decreases to 0.34 eV when removing four Li-ions from the Li-T(001) surface.Thus,our study suggests that by varying Li contents,the stability and Li-ion diffusion barrier of LLZO surfaces can be altered favorably.These advantages can inhibit the formation of metallic Li on the LLZO surfaces.

Study on the Influence of Piloti on Mean Radiant Temperature in Residential Blocks by 3-D Unsteady State Heat Balance Radiation Calculation

Piloti is commonly used in tropical and subtropical climate zones to get high wind velocity and create shadowed areas in order to optimize the living environment of residential blocks,but there are few studies to reveal the influence of piloti on the radiant environment of residential blocks systematically. Taking the city of Guangzhou as an example,using 3-D Unsteady State Heat Balance Radiation Calculation Method,this paper shows that the mean radiant temperature( MRT) under piloti area increases with the increase of piloti ratio,and especially when piloti ratio is equal to 100%,the MRT increase trend becomes sharp. The MRT of exposed area decreases with the increase of piloti ratio,especially when piloti ratio reaches 100%,the decrease trend of MRT becomes sharp,which offers the reference for the study on piloti design in subtropical climate zones and further research on living environment by CFD simulation in residential blocks.

Using on-site liver 3-D reconstruction and volumetric calculations in split liver transplantation

BACKGROUND： Split liver transplantation increases the number of grafts available for transplantation. Pre-recovery assessment of liver graft volume is essential for selecting suitable recipients. The purpose of this study was to determine the ability and feasibility of constructing a 3-D model to aid in surgical planning and to predict graft weight prior to an in situ division of the donor liver. METHODS： Over 11 months, 3-D volumetric reconstruction of 4 deceased donors was performed using Pathfinder Scout liver volumetric software. Demographic, laboratory, operative, perioperative and survival data for these patients along with donor demographic data were collected prospectively and analyzed retrospectively. RESULTS： The average predicted weight of the grafts from the adult donors obtained from an in situ split procedure were 1130 g （930-1458 g） for the extended right lobe donors and 312 g （222-396 g） for left lateral segment grafts. Actual adult graft weight was 92% of the predicted weight for both the extended right grafts and the left lateral segment grafts. The predicted and actual graft weights for the pediatric donors were 176 g and 210 g for the left lateral segment grafts and 308 g and 280 g for the extended right lobe grafts,respectively. All grafts were transplanted except for the right lobe from the pediatric donors due to the small graft weight.CONCLUSIONS： On-site volumetric assessment of donors provides useful information for the planning of an in situ split and for selection of recipients. This information may expand the donor pool to recipients previously felt to be unsuitable due to donor and/or recipient weight.

Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations

Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 107 atomic units (10-33 esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH3)2 or -NHCH3) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.

Fe-3%Si大尺寸合金单晶的制备及磁感系数的计算

以取向Fe-3%Si合金热轧板为原材料,采用二次再结晶法制备了尺寸大于200 mm的合金单晶。随机选取3个单晶样品剪切成7个与轧向成不同角度、尺寸为50 mm×50 mm的样品,分别对所选样品进行单晶定向,并对每个样品的横、纵向磁性能进行了测量。以单晶定向结果为依据,计算每个单晶在晶体学坐标架下的极角和辐角,提出了一种单晶磁感系数的计算方法,并基于该方法以单晶磁性能实测值及其在晶体学坐标架下的极角和辐角为输入条件,测算了Fe-3%Si合金单晶磁感应强度系数并验证了其可靠性。采用该方法对{110}晶面平行于板面的任意方向单晶的磁感应强度进行了计算,为开展多晶材料磁性能计算提供了理论依据。

First-principles calculation of structural and elastic properties of Pd_(3-x)Rh_xV alloys

The structural stability, electronic and elastic properties of Pd3-xRhxV alloys with L12 and D022 structures were investigated theoretically by the first-principles calculations. The results reveal that with the increase of Rh content, the unit cell volume of Pd3-xRhxV alloys with L12 and D022 structures decreases, and the structure of Pd3-xRhxV alloys tends to transform from D022 to L12. The elastic parameters such as elastic constants, bulk modulus, shear modulus, elastic modulus, and Poisson ratio, were calculated and discussed in details. Electronic structures were also computed to reveal the underlying mechanism for the stability and elastic properties.

Parallel computing approach for efficient 3-D X-ray-simulated image reconstruction

Accurate 3-dimensional(3-D)reconstruction technology for nondestructive testing based on digital radiography(DR)is of great importance for alleviating the drawbacks of the existing computed tomography(CT)-based method.The commonly used Monte Carlo simulation method ensures well-performing imaging results for DR.However,for 3-D reconstruction,it is limited by its high time consumption.To solve this problem,this study proposes a parallel computing method to accelerate Monte Carlo simulation for projection images with a parallel interface and a specific DR application.The images are utilized for 3-D reconstruction of the test model.We verify the accuracy of parallel computing for DR and evaluate the performance of two parallel computing modes-multithreaded applications(G4-MT)and message-passing interfaces(G4-MPI)-by assessing parallel speedup and efficiency.This study explores the scalability of the hybrid G4-MPI and G4-MT modes.The results show that the two parallel computing modes can significantly reduce the Monte Carlo simulation time because the parallel speedup increment of Monte Carlo simulations can be considered linear growth,and the parallel efficiency is maintained at a high level.The hybrid mode has strong scalability,as the overall run time of the 180 simulations using 320 threads is 15.35 h with 10 billion particles emitted,and the parallel speedup can be up to 151.36.The 3-D reconstruction of the model is achieved based on the filtered back projection(FBP)algorithm using 180 projection images obtained with the hybrid G4-MPI and G4-MT.The quality of the reconstructed sliced images is satisfactory because the images can reflect the internal structure of the test model.This method is applied to a complex model,and the quality of the reconstructed images is evaluated.

血清25-羟维生素-D3 超敏C反应蛋白及心电图参数与ST段抬高型心肌梗死患者介入治疗后发生恶性心律失常的关系

目的:探讨血清25-羟维生素-D3(25-hydroxyvitamin D3,25-(OH)-D3)、超敏C反应蛋白(High sensitivity C-reactive protein,hs-CRP)、心电图参数变化与ST段抬高型心肌梗死(ST segment elevation myocardial infarction,STEMI)患者经皮冠脉介入术(Percutaneous coronary intervention,PCI)后发生恶性心律失常的关系。方法:选取我院2020年1月至2022年6月实施PCI治疗的193例STEMI患者作为研究对象,根据患者术后72h内是否发生恶性心律失常分为心律失常组38例、对照组155例,对比两组患者入院12h内的25-(OH)-D3、hs-CRP、血清电解质、血常规指标、血脂指标、心肌酶学指标,并对患者PCI术后实施连续动态心电图监测,对比两组患者心电图碎裂QRS波、校正Tp-e间期(Corrected Tp-e interval,Tp-ec)、QT离散度(QT dispersion,Qtd),并采用Logistic回归模型分析上述指标与STEMI患者PCI术后发生恶性心律失常的关系。结果:心律失常组患者的血清25-(OH)-D3水平低于对照组,心律失常组患者的血清hs-CRP、Tp-ec测定值、Qtd测定值、碎裂QRS波检出率均高于对照组,上述指标组间差异均具有统计学意义(P<0.05);心律失常组患者的白细胞(White blood cell,WBC)、肌钙蛋白I(Troponin I,cTnI)、肌酸激酶同工酶(Creatine kinase isoenzyme,CK-MB)、肌红蛋白(Myoglobin,MYO)、K+、Mg 2+水平均高于对照组患者,差异具有统计学意义(P<0.05);Logistic回归模型结果显示:cTnI、CK-MB、K+、hs-CRP、Tp-ec、Qtd增高,碎裂QRS波阳性会显著增大STEMI患者PCI后发生恶性心律失常的风险(P<0.05);血清25-(OH)-D3水平增高会降低STEMI患者PCI后发生恶性心律失常的风险(P<0.05)。结论:STEMI患者血清25-(OH)-D3水平降低、hs-CRP增高、PCI术后Tp-ec、Qtd增高、出现碎裂QRS波会增大患者出现恶性心律失常的风险。

Fe_(3)O_(4)/BiOBr/BiOI的制备及降解2,4-D的性能研究

采用水热法制备了微米球花状结构的Fe_(3)O_(4)/BiOBr/BiOI复合材料,通过SEM、XRD、XPS和UV-Vis等手段对催化剂进行表征分析。结果表明,该催化剂对2,4-D具有高效的光降解性能和光催化效率(80 min,88%)。降解速率常数为2.498×10^(-2)min^(-1),分别是Br∶I=5∶5(K=2.004×10^(-2)min^(-1))、BiOBr(K=1.289×10^(-2)min^(-1))和BiOI(K=6.98×10-3min-1)的1.25倍、1.94倍与3.58倍。这是由于Fe_(3)O_(4)/BiOBr/BiOI复合材料内部形成了异质结,利于光生载流子的分离。此外,5次循环实验后,降解效率保持在82.9%,证明该催化剂稳定、可回收、可磁分离。

Na_(2)CO_(3)-K_(2)CO_(3)-NaVO_(3)熔盐结构的拉曼光谱和理论计算

NaVO_(3)在Na_(2)CO_(3)-K_(2)CO_(3)熔盐体系中可原位催化电还原CO_(2)制备高附加值碳材料,对Na_(2)CO_(3)-K_(2)CO_(3)-NaVO_(3)体系熔盐结构进行研究有助于明晰电极过程机理和优化反应条件.本文采用拉曼光谱学和量子化学计算(基于Gaussian和Molclus程序)相结合的方法探究了1073 K下Na_(2)CO_(3)-K_(2)CO_(3)-NaVO_(3)熔盐体系的离子结构.结果表明,在该熔盐体系中,除了存在CO_(3)^(2-)以外,还存在由CO_(3)^(2-)和VO_(3)^(-)发生反应生成的VO_(4)^(3-),而不存在VO_(3)^(-);VO_(4)^(3-)所属C1空间点群,其中V-O键的对称伸缩振动模对应的拉曼特征峰位于802 cm^(-1)处;随着体系中NaVO_(3)质量分数由5%增加至15%,熔盐中VO_(4)^(3-)的相对含量急剧增加,而CO_(3)^(2-)的相对含量相应地减少.

Li-promoted C_(3)N_(4) catalyst for efficient isomerization of glucose into fructose at 50℃ in water

Efficient and selective glucose-to-fructose isomerization is a crucial step for production of oxygenated chemicals derived from sugars,which is usually catalyzed by base or Lewis acid heterogeneous catalyst.However,high yield and selectivity of fructose cannot be simultaneously obtained under mild conditions which hamper the scale of application compared with enzymatic catalysis.Herein,a Li-promoted C_(3)N_(4) catalyst was exploited which afforded an excellent fructose yield(40.3 wt%)and selectivity(99.5%)from glucose in water at 50℃,attributed to the formation of stable Li–N bond to strengthen the basic sites of catalysts.Furthermore,the so-formed N_(6)–Li–H_(2)O active site on Li–C_(3)N_(4) catalyst in aqueous phase changes the local electronic structure and strengthens the deprotonation process during glucose isomerization into fructose.The superior catalytic performance which is comparable to biological pathway suggests promising applications of lithium containing heterogeneous catalyst in biomass refinery.

Building 3-D Human Data Based on Handed Measurement and CNN

3-dimension(3-D)printing technology is growing strongly with many applications,one of which is the garment industry.The application of human body models to the garment industry is necessary to respond to the increasing personalization demand and still guarantee aesthetics.This paper proposes amethod to construct 3-D human models by applying deep learning.We calculate the location of the main slices of the human body,including the neck,chest,belly,buttocks,and the rings of the extremities,using pre-existing information.Then,on the positioning frame,we find the key points(fixed and unaltered)of these key slices and update these points tomatch the current parameters.To add points to a star slice,we use a deep learning model tomimic the form of the human body at that slice position.We use interpolation to produce sub-slices of different body sections based on the main slices to create complete body parts morphologically.We combine all slices to construct a full 3-D representation of the human body.

Conical Sonic-Supersonic Solutions for the 3-D Steady Full Euler Equations

This paper concerns the sonic-supersonic structures of the transonic crossflow generated by the steady supersonic flow past an infinite cone of arbitrary cross section.Under the conical assumption,the three-dimensional(3-D)steady Euler equations can be projected onto the unit sphere and the state of fluid can be characterized by the polar and azimuthal angles.Given a segment smooth curve as a conical-sonic line in the polar-azimuthal angle plane,we construct a classical conical-supersonic solution near the curve under some reasonable assumptions.To overcome the difficulty caused by the parabolic degeneracy,we apply the characteristic decomposition technique to transform the Euler equations into a new degenerate hyperbolic system in a partial hodograph plane.The singular terms are isolated from the highly nonlinear complicated system and then can be handled successfully.We establish a smooth local solution to the new system in a suitable weighted metric space and then express the solution in terms of the original variables.