Linear QSAR Regression Models for the Prediction of Bioconcentration Factors of Chloroanilines in Fish by Density Functional Theory

Density functional theory（DFT）-B3LYP level with the 6-311G＊＊（d,p） basis set was used to calculate a set of molecular quantum chemical descriptors of 12 chloroanilines. Quantitative structure-activity relationship（QSAR） models of the bioconcentration factors（BCF） of the anilines in fish were established using some of the following calculated descriptors： EHOMO, ENHOMO, ELUMO, ENLUMO, ΔE1（= ELUMO- EHOMO）, ΔE2（= ENLUMO- ENHOMO）, dipole moment（μ）, molecular volume（V）, vibrational energy of 0 K（Ev）, thermodynamic energy（E）, heat capacity（Cv）, entropy（Sm） and the charge of benzene ring（Qph）. Using the variable selection and leaps-and-bounds regression, the quantum chemical descriptors derived directly from the molecular structures were employed to develop a linear QSAR model between the bioconcentration factors（BCF） and two descriptors（Sm, ENHOMO） of 12 chloroanilines. Statistically, the most significant one is a two-parameter linear equation with the correlation coefficient（R^2） of 0.981 and cross-validated correlation coefficient（Rcv^2） of 0.967. The established QSAR model has good stability and predictability based on the results from Rcv2 of leave-one-out cross-validation, AIC, FIT and tα/2. The quantum chemical analyses were performed from two aspects of frontier molecular orbital and entropy. The results show that two structural describers are crucial to the bioconcentration activity of chloroanilines.

Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Chemicals in Fish by Electrotopological State Indices and Structural Parameter

Based on the characteristics of atom types, Hall＇s electrotopological state indices （En） are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter （G） is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor （BCF） and En, is expressed as： 1gBCF = -0.283 ＋ 1.246G ＋ 0.079E42 ＋ 0.351E9- 0.063E17 （n＇ = 122, R = 0.967, F = 425.636, s = 0.394）, which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship （QSPR/QSAR） research.

Studies of Hepatitis B Virus-Specific Transfer Factor reparation

制备一种乙型肝炎病毒特异性转移因子制剂 (HBV STF) ,为临床应用提供有价值的实验依据。从人HBsAg阳性胎盘中制备了HBV STF ,并对其理化性质、免疫学活性进行了检测和初步的临床试用。每批样品经无菌试验、热原质检查、动物安全性试验等均符合药典要求。本品最大紫外吸收光谱在 2 5 6± 2nm处 ,E2 60nm/E2 80nm比值大于 2 7。其水解氨基酸含 17种。对人T淋巴细胞E受体的激活试验结果显示 ,HBV STF的Ea RFc平均增高率在 83 47%～ 10 3 48%之间 ,抗原特异性皮肤试验表明HBV STF能刺激小鼠体内T淋巴细胞增殖 ,诱导小鼠跖趾部皮肤的迟发性变态反应。对HBV STF的初步临床试用也取得明显效果 ,显示HBV STF是一种可用于治疗乙肝的安全。

A Method and Equipment for Measurement of the Complex Transfer Factor of a Radome Wall

In this paper, it is offered to use the method of modulated reflection for the measurementof complex transfer factor of a radome wall on various sites of its surface. The circuit of equipmentallowed to carry out of such measurement is given. The advantage of the given method in comparisonwith measurements on a gleam is shown. The results of the experimental research are given and theestimation of the accuracy of proposed method is considered.

Coarse Extraction and Identification of Non-specific Transfer Factors from Goose Spleens

[ Objective] To extract non-specific transfer factors （TFs） from goose spleens and to detect the activity of the extracts. [Methodl The non-specific TFs were extracted crudely from goose spleens using the dialysis method, and the effects of the extracts on immunity were studied. [ Result] The extracts of goose TFs were transparent, light yellow and non-toxic. The extracts were at pH 6.72 and did not contain higher molecular weight proteins. The concentration of minor polypeptides was 23.78 ug/ml. The results of immunization test showed that the level of antibodies was higher in the geese inoculated with the inactivated vaccine against infections serositis and the extracts of TFs than in the control geese injected with normal saline. In addition, the level of antibodies was significantly higher in the geese only inoculated with inactivated vaccine than in the control geese. The results showed that the extracts of TFs from goose spleens could enhance immunity to a certain extent. [ Conclusion] The study pro- vides a theoretical basis and technical reference for further researches on the biological activity of non-specific TFs from goose spleens as well as for application of the extracts.

Radioactivity Levels and Soil-to-Plant Transfer Factor of Natural Radionuclides from Protectorate Area in Aswan, Egypt

The aim of this study is to determine the transfer factor soil-to-plant and to assess the concentration level of natural and artificial radionuclide (238U, 226Ra, 228Ra, 232Th, 40K and 137Cs) in samples from Saluga and Ghazal Protectorate area in Aswan, Egypt, by using High Pure Germanium detector (HPGe) Environmental Radioactivity Measurements Labrotary in faculty of science Qena. Reported values for natural radionuclides ranged from 8.81 ± 0.64 to 28.88 ± 2.10, from 6.98 ± 0.51 to 26.01 ± 1.89, from 12.29 ± 0.89 to 33.32 ± 2.43, from 12.53 ± 0.91 to 32.81 ± 2.39 and from 383.90 ± 27.95 to 711.98 ± 51.83 Bq.kg-1 for 238U, 226Ra, 228Ra, 232Th and 40K, respectively. 137Cs activity concentration was found to be in the range from 0.36 ± 0.03 to 9.73 ± 0.71 Bq.kg-1 and was calculated through transfer factor TF reported in this article.

Investigation of the Radiological Risk of Farmlands and the Transfer Factor from Soil to Crops in Jalingo and Wukari L.G.A of Taraba State, Nigeria

The activity concentrations of radionuclides, absorbed dose rate, excess lifetime cancer risk, and soil-to-plant transfer factor have been evaluated in soil and crop samples from Jalingo and Wukari Local Government Area of Taraba State, Nigeria. The activity concentrations were determined with the aid of High Purity Germanium detector. The absorbed dose and excess lifetime cancer risk were evaluated and forecasted for 60 years using the ResRad off-site model. The average activity concentration of 40K, 232Th, and 238U in the soil samples were 633.13, 141.15, and 71.20 Bq·kg-1 respectively, for the Jalingo study area, and while that of the Wukari study area was;199.21, 87.23, and 25.37 Bq·kg-1 respectively. The average soil-to-plant transfer factors for 40K, 232Th, and 238U were 0.51, 0.10, and 0.27 respectively for the Jalingo study area while that of Wukari are 0.40, 0.57, and 0.74 respectively. The mean annual effective dose equivalent for the study area is higher than the world average of 0.07 mS·vy-1. The excess lifetime cancer risk for the study areas has values that are higher than the safety limit. The ResRed model showed that direct radiation from the crops is the major contributor to excess cancer risk among other pathways. The radiological hazard indices reveal health risks to farmers, especially in the Jalingo area.

Effect of adjuvant therapy of transfer factor oral solution on the infection process of children with Mycoplasma pneumonia

Objective:To explore the effect of adjuvant transfer factor oral solution therapy on the infection process of children with mycoplasma pneumonia.Methods:A total of 164 children with mycoplasma pneumonia who were treated in our hospital between January 2017 and January 2018 were selected as the research subjects and divided into control group (n=82) and transfer factor oral solution group (n=82) by random number table method. Control group received clinical routine therapy for children with mycoplasma pneumonia, transfer factor oral solution group received both routine therapy and transfer factor oral solution therapy, and both groups were treated for consecutive 1 week. The differences in infection-related index levels were compared between the two groups before and after treatment.Results:Before treatment, the differences in serum levels of inflammatory factors, coagulation indexes and immunoglobulins were not statistically significant between the two groups. After 1 week of treatment, serum inflammatory factors IL-2, IL-13 and IL-18 contents of transfer factor oral solution group were lower than those of control group;serum coagulation index FIB level was lower than that of control group whereas PT and APTT levels were higher than those of control group;serum immunoglobulins IgG, IgA and IgM contents were lower than those of control group.Conclusion: Adjuvant transfer factor oral solution therapy can effectively relieve the systemic inflammatory response and reduce the coagulation system and humoral immune system function damage in children with mycoplasma pneumonia.

Migration and transfer of chromium in soil-vegetable system and associated health risks in vicinity of ferro-alloy manufactory

Study was carried out to analyze the distribution and migration patterns,soil-to-plant transfer and potential health risks of chromium in soil-vegetable system in areas near a ferro-alloy manufactory in Hunan province.The results show that soils near sewer outlet,sewer channel and in control area are averaged 2 239.5,995.33 and 104.9 mg/kg,respectively.The total Cr has a relative accumulation in soil depth of 200-400 mm near the sewer outlet,mainly enriches in the surface layer（0-200 mm） near the sewer channel and decreases gradually in unpolluted soils.The differential concentration level of enrichment between layers is little.The results also indicate that the three vegetables of celery,lettuce and Chinese cabbage are able to convert the potentially toxic Cr（Ⅵ） species into the non-toxic Cr（Ⅲ） species,and the chromium contents in the edible parts of the vegetables are averaged 11.95 mg/kg.The transfer factors of the three vegetables follow the order：Chinese cabbage lettuce celery.The estimated total daily intake of chromium substantially exceeds the dietary allowable value,which may pose health risks to local population.

Numerical analysis of factors affecting the range of heat transfer in earth surrounding three subways

In order to examine the factors which affect the range of heat transfer in earth surrounding subways, FLAC3D was adopted in this study to analyze these factors, under different conditions, in a systematic manner. When we compare these numerical tests, the results show that the main factors, affecting the heat transfer range are the thermal properties of the surrounding earth, the initial ground temperature and the temperature in the tunnel. The heat transfer coefficient between air and linings has little effect on the temperature distribution around the tunnel. The current results can provide a reference for improving the thermal environment in subways and optimizing the design of subwav ventilation and air conditioning.

Heat Transfer and Friction Factor Studies in a Circular Tube Fitted with Twisted Tape Consisting of Wire-nails

This paper deals with the experimental investigation on Nusselt number,friction factor and thermal en-hancement factor of a double pipe heat exchanger equipped with twisted tape consisting wire nails(WN-TT) and plain twisted tapes(P-TT) with three different twist ratios of y 2.0,4.4 and 6.0. Test runs are conducted using the water as the working fluid with Reynolds number range between 2000 and 12000 for WN-TT and P-TT. It is found that Nusselt number,friction factor and thermal enhancement factor in the tube equipped with WN-TT appreciably higher than those in the tube fitted with P-TT and plain tube. Over the range considered Nusselt number,friction factor and thermal enhancement factor in a tube with WN-TT are respectively,1.08 to 1.31,1.1 to 1.75 and 1.05 to 1.13 times of those in tube with P-TT. The better performance of WN-TT is due to combined effects of the follow-ing factors:(1) common swirling flow generated by P-TT,(2) additional turbulence offered by the wire nails. Em-pirical correlations for Nusselt number,friction factor and thermal enhancement factor are also formulated from the experimental results of WN-TT and P-TT.

Molecular Tissue Engineering: Applications for Modulation of Mesenchymal Stem Cells Proliferation by Transforming Growth Factor β_1 Gene Transfer

The effect of transforming growth factor β 1 (TGF β 1 ) gene transfection on the proliferation of bone marrow derived mesenchymal stem cells (MSC S ) and the mechanism was investigated to provide basis for accelerating articular cartilage repairing using molecular tissue engineering technology. TGF β 1 gene at different doses was transduced into the rat bone marrow derived MSCs to examine the effects of TGF β 1 gene transfection on MSCs DNA synthesis, cell cycle kinetics and the expression of proliferating cell nuclear antigen (PCNA). The results showed that 3 μl lipofectamine mediated 1 μg TGF β 1 gene transfection could effectively promote the proliferation of MSCs best; Under this condition (DNA/Lipofectamine=1μg/3μl), flow cytometry and immunohistochemical analyses revealed a significant increase in the 3 H incorporation, DNA content in S phase and the expression of PCNA. Transfection of gene encoding TGF β 1 could induce the cells at G0/G1 phase to S1 phase, modulate the replication of DNA through the enhancement of the PCNA expression, increase the content of DNA at S1 phase and promote the proliferation of MSCs. This new molecular tissue engineering approach could be of potential benefit to enhance the repair of damaged articular cartilage, especially those caused by degenerative joint diseases.

Intrastriatal Gene Transfer of Vascular Endothelial Growth Factor Rescues Dopaminergic Neurons in a Rat Parkinson's Disease Model

To examine the ability of intrastriatal gene transfer of vascular endothelial growth factor 165 mediated by adenoviral vector to rescue dopaminergic neurons in a rat model of Parkinson＇s disease （PD）, we constructed recombinant replication-deficent adenoviral vectors carrying the gene of VEGF165 （Ad-VEGF）, and injected Ad-VEGF （or Ad-LacZ and PBS as controls） into the striatum of rats 7 days after the lesion by 6-hydroxydopamine. The rat rotational behavior analysis and tyrosine hydroxylase （TH） immunohistochemistry were performed to assess the change of dopaminergic neurons. Our results showed that the rats receiving Ad-VEGF injection displayed a significant improvement in apomorphine-induced rotational behavior and a significant preservation of TH-positive neurons and fibers compared with control animals, It is concluded that intrastriatal gene transfer by Ad-VEGF may rescue the dopaminergic neurons from degeneration in a rat model of PD.

Effect of intrauterine perfusion of granular leukocyte-colony stimulating factor on the outcome of frozen embryo transfer

BACKGROUND Treatment of thin endometrium with granular leukocyte-colony stimulating factor(G-CSF)remains controversial.AIM To investigate the effect of G-CSF on the outcome of frozen embryo transfer in patients with thin endometrium.METHODS A retrospective propensity score matching(PSM)study was performed to assess patients administered frozen embryo transfer at the Reproductive Medicine Center of the Affiliated Drum Tower Hospital of Nanjing University Medical School,in 2012-2018.The patients were divided into G-CSF intrauterine perfusion(G-CSF)and non-G-CSF groups,and clinical pregnancy,implantation,ectopic pregnancy,and early abortion rates between the two groups were compared.RESULTS Before PSM,372 cycles were enrolled,including 242 and 130 cycles in the G-CSF and non-G-CSF groups,respectively.Age(34.23±5.76 vs 32.99±5.59 years;P=0.047)and the blastula/cleavage stage embryo ratio(0.68 vs 0.37;P=0.011)were significantly elevated in the G-CSF group compared with the non-G-CSF group;however,clinical pregnancy(46.28%vs 51.54%;P=0.371)and embryo implantation(35.21%vs 35.65%;P=0.910)rates were similar in both groups.After PSM by age and blastula/cleavage stage embryo ratio,244 cycles were included(122 cases each in the G-CSF and non-G-CSF groups).The clinical pregnancy(50.82%vs 48.36%;P=0.701)and embryo implantation(37.38%vs 34.11%;P=0.480)remained similar in both groups.CONCLUSION Intrauterine infusion of G-CSF does not improve the clinical outcome of frozen embryo transfer in patients with thin endometrium.

Heat transfer and friction factor of Therminol liquid phase heat transfer fluid in a ribbed tube

Experiments and simulations on flow and heat transfer behavior of Therminol-55 liquid phase heat transfer fluid have been conducted in a ribbed tube with the outer diameter and inner diameter 25.0 and 20.0 mm,pitch and rib height of 4.5 and 1.0 mm.respectively.Experimental results show that the heat transfer and thermal performance of Therminol-55 liquid phase heat transfer fluid in the ribbed tube are considerably improved compared to those of the smooth tube.The Nusselt number increase with the increase of Reynolds number.The increase in heat transfer rate of the ribbed tube has a mean value of 2.24 times.Also,the pressure drop results reveal that the average friction factor of the ribbed tube is in a range of 2.4 and 2.8 times over the smooth tube.Numerical simulations of three-dimensional flow behavior of Therminol-55 liquid phase heat transfer fluid are carried out using three different turbulence models in the ribbed tube.The numerical results show that the heat transfer of ribbed tube is improved because vortices are generated behind ribs,which produce some disruptions to fluid flow and enhance heat transfer compared with smooth tube.The numerical results prove that the ribbed tube can improve heat transfer and fluid flow performances of Therminol liquid phase heat transfer fluid.

Application of a microscopic optical potential of chiral effective field theory in (p, d) transfer reactions

The microscopic global nucleon–nucleus optical model potential(OMP)proposed by Whitehead,Lim,and Holt,the WLH potential(Whitehead et al.,Phys Rev Lett 127:182502,2021),which was constructed in the framework of many-body per-turbation theory with state-of-the-art nuclear interactions from chiral effective field theory(EFT),was tested with(p,d)transfer reactions calculated using adiabatic wave approximation.The target nuclei included both stable and unstable nuclei,and the incident energies reached 200 MeV.The results were compared with experimental data and predictions using the phenomenological global optical potential of Koning and Delaroche,the KD02 potential.Overall,we found that the micro-scopic WLH potential described the(p,d)reaction angular distributions similarly to the phenomenological KD02 potential;however,the former was slightly better than the latter for radioactive targets.On average,the obtained spectroscopic factors(SFs)using both microscopic and phenomenological potentials were similar when the incident energies were below approxi-mately 120 MeV.However,their difference tended to increase at higher incident energies,which was particularly apparent for the doubly magic target nucleus 40Ca.

SYNTHESIS OF THERMAL RESPONSE FACTORS AND Z-TRANSFER FUNCTION COEFFICIENTS FOR CALCULATION OF ROOM TEMPERATURE VARIATION

A new method is presented for getting the general thermal response factors and z-transfer functioncoefficients of a room by synthesizing them from the thermal response factors of different parts of the thermalinsulation structure. How to use the general thermal response factors and z-transfer function coefficients toca1culate the indoor air temperature variation directly is also studied. It is shown through practical use that it iseasy to program with the methods presented in this paper and the calculated results are reliable.

Transformation and influencing factors of scholarly communication based on knowledge transfer: A case study of science and technology literature

Purpose: The process of scientific literature use can be regarded as that of knowledge transfer. With the help of the knowledge transfer theory and data from scientific literature databases, we explored the behavior of scientific researchers during their scholarly communication, and studied the factors that influenced the behavior of researchers under network environment. Design/methodology/approach: Based on the literature databases of CNKI, Elsevier Science Direct and Springer Link, we used the knowledge transfer theory to construct a model for describing the scholarly communication process, which attempts to find out factors that may influence the communication behavior of researchers. With a focus laid on the absorption behavior of researchers during the knowledge acceptance process, we defined the independent variables of the model and proposed hypotheses on the basis of a comprehensive literature study. Afterwards, college students were invited to participate in a questionnaire survey, which was designed to prove our research model and hypotheses.Findings: Our results showed that during the scholarly communication, it is not the professional knowledge, but the ability and willingness for knowledge acceptance, organizations’ importance and internal atmosphere as well as knowledge authority and relevance that have played a positive significant role in the knowledge transfer performance. In addition, our distance indicators showed that knowledge distance and knowledge transfer performance have significant negative correlations. Research limitations: This study is mainly based on a questionnaire survey of college students, which may limit the generalization of our research results. In addition, more resource types need be considered for further studies.Practical implications: Under network environment, scholarly communication performance based on knowledge transfer theory could greatly contribute to the enrichment of the contentof the knowledge transfer theory, and stretch out the range of the field. In addition, our result could help commercial scientific database providers to learn more about the users’ needs, which would not only benefit both scientific communities and content providers, but also promote scholarly communication effectively. Originality/value: Compared with existing researches which mainly emphasized the model construction of scholarly communication, our study focused the knowledge relevance during the scholarly communication and influence factors that impacted on the performance of knowledge acceptance under the network environment, which could provide helpful guides for further studies.

A quantitative evaluation of the factors influencing the air-sea carbon dioxide transfer velocity

The numerous factors influencing the air-sea carbon dioxide（CO_2） transfer velocity have been discussed for many years, yet the contributions of various factors have undergone little quantitative estimation. To better understand the mechanism of air-sea transfer, the effects of different factors are discussed on the air-sea transfer velocity and the various parametric models describing the phenomenon are classified and compared.Then, based on GAS EX-98 and ASGAMAGE data, wind models are evaluated and the effects of some factors are discussed quantitatively, including bubbles, waves, wind and so on by considering their interaction through a piecewise average approach. It is found that the air-sea CO_2 transfer velocity is not only the function of the wind speed, but is also affected by bubbles, wave parameters and other factors. Stepwise and linear regressions are used. When considering the wind speed, bubbles mediated and the significant wave height, the root mean square error is reduced from 34.53 cm/h to 16.96 cm/h. Discussing the various factors quantitatively can be useful in future assessments of a large spatial scale and long-term air-sea CO_2 flux and global change.

Improving Heat Transfer in Parabolic Trough Solar Collectors by Magnetic Nanofluids

A parabolic trough solar collector(PTSC)converts solar radiation into thermal energy.However,low thermal efficiency of PTSC poses a hindrance to the deployment of solar thermal power plants.Thermal performance of PTSC is enhanced in this study by incorporating magnetic nanoparticles into the working fluid.The circular receiver pipe,with dimensions of 66 mm diameter,2 mm thickness,and 24 m length,is exposed to uniform temperature and velocity conditions.The working fluid,Therminol-66,is supplemented with Fe3O4 magnetic nanoparticles at concentrations ranging from 1%to 4%.The findings demonstrate that the inclusion of nanoparticles increases the convective heat transfer coefficient(HTC)of the PTSC,with higher nanoparticle volume fractions leading to greater heat transfer but increased pressure drop.The thermal enhancement factor(TEF)of the PTSC is positively affected by the volume fraction of nanoparticles,both with and without a magnetic field.Notably,the scenario with a 4%nanoparticle volume fraction and a magnetic field strength of 250 G exhibits the highest TEF,indicating superior thermal performance.These findings offer potential avenues for improving the efficiency of PTSCs in solar thermal plants by introducing magnetic nanoparticles into the working fluid.