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The population history of Southeast (SE) China remains poorly understood due to the sparse sampling of present-day populations and limited modeling with ancient genomic data. We report genome-wide genotyping data from 207 present-day Han Chinese and Hmong-Mien (HM)-speaking She people from Fujian and Taiwan Island, SE China. We coanalyzed 66 Early Neolithic to Iron Age ancient Fujian and Taiwan Island individuals obtained from previously published works to explore the genetic continuity and admixture based on patterns of genetic variations of the high-resolution time transect. We found the genetic differentiation between northern and southern East Asians was defined by a north–south East Asian genetic cline and our studied southern East Asians were clustered in the southern end of this cline. The southeastern coastal modern East Asians are genetically similar to other southern indigenous groups as well as geographically close to Neolithic-to-Iron Age populations, but they also shared excess alleles with post-Neolithic Yellow River ancients, which suggested a southward gene flow on the modern southern coastal gene pool. In addition, we identified one new HM genetic cline in East Asia with the coastal Fujian HM-speaking She localizing at the intersection between HM and Han clines. She people show stronger genetic affinity with southern East Asian indigenous populations, with the main ancestry deriving from groups related to southeastern ancient indigenous rice farmers. The southeastern Han Chinese could be modeled with the primary ancestry deriving from the group related to the Yellow River Basin millet farmers and the remaining from groups related to rice farmers, which was consistent with the northern China origin of modern southeastern Han Chinese and in line with the historically and archaeologically attested southward migrations of Han people and their ancestors. Our estimated north–south admixture time ranges based on the decay of the linkage disequilibrium spanned from the Bronze Age to historic periods, suggesting the recent large-scale population migrations and subsequent admixture participated in the formation of modern Han in SE Asia. This study was supported by the Major Project of National Social Science Foundation of China (the origin and evolution of Sino‐Tibetan language family from a multidisciplinary perspective, 21&ZD285) granted to Chuan‐Chao Wang, the“Double First‐Class University Plan” key construction project of Xiamen University (the origin and evolution of East Asian populations and the spread of Chinese civilization, 0310/X2106027), National Natural Science Foundation of China (NSFC 31801040), Nanqiang Outstanding Young Talents Program of Xiamen University (X2123302), the Major Project of National Social Science Foundation of China (20&ZD248), and the European Research Council (ERC) grant (ERC‐2019‐ADG‐883700‐TRAM). Yingxiang Li was supported by the National Postdoctoral Program for Innovative Talents(BX20180180). Guanglin He was supported by the China Postdoctoral Science Foundation (2021M691879).

Identifying the association between long noncoding RNA (lncRNA) and micro-RNA (miRNA) is of great significance for the treatment of diseases by interfering with the combination of miRNA and messenger RNA (mRNA). Although many efforts and resources have been invested to identify lncRNA-miRNA associations (LMAs), clinical trials are still expensive and laborious. Nevertheless, the experiments also need to consult a large number of side effects. Therefore, novel computer-aided models are urgently needed to predict LMAs. This paper proposed a semantic embedded bipartite graph network for predicting lncRNA-miRNA associations (SEBGLMA), which provided a novel feature extraction method by integrating K-mer segmentation, word2vec, Gaussian interaction profile (GIP), and graph convolution network (GCN). Concretely, the attribute characteristics of RNA sequences are extracted by K-mer segmentation and word2vec modules. Afterward, the adjacent matrix is completed by GIP self-similarity. Then, the attribute characteristics and adjacent matrix are fed into GCN for embedding behavior features. Finally, the features are sent into the rotation forest (RoF) for detecting potential LMAs. The average accuracy, precision, sensitivity, specificity, Matthews correlation coefficient, and F1-Score are 87.09%, 87.66%, 87.03%, 87.84%, 74.18%, and 86.99% on the benchmark data set. For fairly validating the performance of our model, we conducted various comparisons with different classifiers. Furthermore, the case studies of hsa-miR-497-5P and NONHSAT022145.2 are also established. The results of comparisons and case studies further illustrated that our method is anticipated to become a robust and reliable tool for the identification of LMAs.

In control engineering, numerical stability and real time are the two most important requirements for the matrix inversion. This article presents an efficient and robust method for the field-programmable gate array (FPGA) calculation of the matrix inversion. We initially consider the scenario that the matrix to be processed is a nonsingular Hermitian matrix. The proposed computation procedures are composed of the matrix decomposition, triangular matrix inversion, and matrices multiplication. The first procedure is completed by LDL factorization based on the outer form of Cholesky's method, whereas the recursive algorithm for block submatrices is adopted to achieve the triangular matrix inversion. The new method has the high level in the parallel pipelining mechanism and steals the characteristics of both the upper triangular matrix and its inversion to reduce the computation load and improve the numerical stability. Furthermore, the non-Hermitian matrix inversion can be easily solved if another procedure is added in the new method. Finally, we compare our method with the exiting FPGA-based techniques on one Xilinx Virtex-7 XC7VX690T FPGA. Meanwhile, it has solved one array antenna control problem of the adaptive digital beam forming for one phased array radar successfully.

In the context of white complex Gaussian noise, this study presents one constant false-alarm rate mono-pulse detector for both the narrowband and wideband pulse-Doppler (PD) radars. To this end, coherent-like integration is proposed to improve the signal-to-noise ratios of one radar echo. The PD radar returned signals are first performed by stretch processing. Stretched signals are analysed by short-time Fourier transform (STFT) in the time-frequency representation. Coherent-like integration is then utilised to operate the two-dimensional (2D) STFT matrix and the new 2D matrices after coherent-like integration are decomposed to obtain singular values. Finally, the largest singular value, which is assumed to be corresponding to an isolated scatterer for narrowband PD radars (dominate scatterer for wideband PD radars) is selected as the test static to be compared with the detection threshold. Since the new detector is not highly sensitive to the target motion, it can solve the detection problem of the high-speed manoeuvring target. Furthermore, the experiments based on raw data are conducted to illustrate the performance of the proposed detector.

In this paper, we use a stochastic dynamic programming model to evaluate the impacts of uncertainties on the abatement planning process. By involving the endogenous emission path, we differentiate two types of uncertainties during the planning process, which come from the volatility of the abatement cost and the ambiguity of emission rate. Results suggest that the considered uncertainties influence the decision-making process in several aspects by shaping the abatement path as well as emission path. (1) The impacts vary with the expected value and the level of variance of the uncertainty effects. Uncertainties caused by abatement costs from 0.02 to 0.06 and emission factors from 0.01 to 0.03 increase the total abatement costs around 7% and 5% respectively. (2) Both of these uncertainties can generate precautionary abatement in short-term. Especially during the early stages, the abatement task will be increased by 1% around in each period due to the uncertainties. However such an action will be diminishing as the duration elapses. (3) Both of these uncertainties influence the long-term abatement performances, however, with different forms and mechanisms. With small volatility, the emission rate changes the priority sequence of abatement actions more substantially in the short-term than the emission rate does. (4) The combined uncertainties can behave in a compound way to improve the uncertainty performance in the model. The difference between the emission peaks of conservative and extreme cases is significant with the gap being about 5 million metric ton. These results have potentially important policy implications and can provide a rationale for abatement actions.

Various signals of finite length are often analysed by the Wigner-Ville distribution (WVD). Thus, this article deals with the implementation of their discrete WVDs on field-programmable gate arrays (FPGAs). For the discrete WVD, its calculation procedures are composed of the autocorrelation function and Fourier transform. Since the autocorrelation procedure is the most time-consuming step in the entire computation process, the authors analyse the calculation procedure of autocorrelation function in detail. Here the proposed efficient method just calculates partial non-zero elements of the autocorrelation matrices in order to reduce the computation complexity. The FFT (built-in FPGAs) is then utilised to acquire the discrete WVD. In addition, the idea of the fully-pipelined and parallelism is borrowed to reduce the running time but at the cost of recourses. Finally, the authors provide implementations of both authors proposed method and two other algorithms on different FPGAs. The experimental results show that the Intel Arria-10 FPGA families are the better choice in the floating point arithmetic and that authors method has the best performance.

The carbonisation of energy structures is a principal reason for the high carbon levels of carbon dioxide (CO2) emissions in the steel industry. The implementation of an energy substitution policy in the Chinese steel industry has important practical significance for this industry in terms of reducing CO2 emissions. Based on this, this paper divides 20 types of energy-saving and emission-reduction (ESER) technologies into 4 categories: coal-saving technology, electricity-saving technology, comprehensive energy-saving technology, and linkage technology according to the energy-saving effect of different technology on energy varieties. Considering the energy substitution constraints on energy structures within the steel industry, we construct a bottom-up optimisation model based on a scenario analysis to analyse the emission reductions under 3 different scenarios: the baseline scenario (BAU), policy scenario (PS), and strengthened policy scenario (SPS). Results show that the emission reduction of coal-saving technology and comprehensive energy-saving technology in 2030 is 102 million tons CO2 (MtCO2) and 129 MtCO2, respectively, in the PS, and 116 MtCO2 and 130 MtCO2, respectively, in the SPS. Compared with these types of technology, electricity-saving technology is maintained at the level of the BAU. Linkage technology is developed in the latter period of the SPS. The emission reduction of linkage technology in the SPS in 2030 will be 4.1 MtCO2. During the period of 2015–2020, priority should be given to the development of thin slab continuous casting technology in comprehensive energy-saving technology and the development of blast furnace thick phase high efficiency coal injection technology in coal-saving technology. During the period 2020–2030, priority should be given to the development of thick layer sintering technology, hot delivery & hot charging technology of continuous casting slab, online treatment technology in comprehensive energy-saving technology and low temperature rolling technology, converter ‘negative energy steelmaking’ technology, and double preheating technology for hot stove of blast furnace in coal-saving technology.

The wideband radar transmitting the linear frequency modulation signal often processes its echoes by the stretched processing. This paper deals with the range-spread target detection in white compl...

This study proposes a robust control model for a production management problem related to dynamic pricing and green investment. Contaminants produced during the production process contribute to the accumulation of pollution stochastically. We derive optimal robust controls and identify conditions under which some concerns about model misspecification are discussed. We observe that optimal price and investment control decrease in the degree of robustness. We also examine the cost of robustness and the relevant importance of contributions in the overall value function. The theoretical results are applied to a calibrated model regarding production management. Finally, we compare robust choices with those in the benchmark stochastic model. Numerical simulations show that robust decision-making can indeed adjust investment decisions based on the level of uncertainty.

Climate change has become a global concern, and the development of a green economy has attracted wide attention. Understanding the driving factors and growth potential of provincial-level carbon productivity is crucial for China’s green economic development in the new normal phase. In this study, the logarithmic mean Divisia index (LMDI) is adopted to systematically investigate the driving factors of provincial carbon productivity and explore the growth potential of provinces’ carbon productivity based on the clustering analysis. The results show that: (1) China’s provincial carbon productivity presents an increasing trend in 2001–2017, but the differences in carbon productivity among provinces are widening. (2) Economic activity and industrial structure are key to push up regional carbon productivity in China, while energy intensity is the main factor pulling it down. (3) The potential for carbon productivity improvement varies greatly among provinces in the four groups. Specifically, in groups 1 and 2, the developed provinces have little potential for improving carbon productivity, while the developing provinces in group 4 are just the opposite. These findings can enlighten policymakers that the development of a green economy should focus on optimizing and upgrading industrial structure and reducing energy intensity, and provincial heterogeneity must be considered when formulating green economic development policies.

Outdated capacity and substantial potential for energy conservation are the two main features of energy-intensive sectors in developing countries. Such countries also seek to implement market-based options to further control domestic carbon emissions as well as to promote the withdrawal of outdated capacity and upgrade production level. This paper presents a quantitative assessment of the emission trading scheme (ETS) for China's iron and steel industry. The diverse array of normal and outdated capacities was modeled in a two-country, three-good partial equilibrium model. Simulation results show that the abatement potential can be underestimated if the energy-saving effects that result from emission abatement are not considered. In the scenario analysis, we demonstrated that the free allocation of allowances can cause a competitiveness distortion among domestic normal and outdated capacities. Given the government's intention to promote outdated capacity withdrawal and production-level upgrading, an output-based allocation approach is strongly suggested for China's iron and steel sector.

We specify a general model of the dynamic abatement technology adoption process and show how the accumulated experience among them can alter the adoption timing. Learning-by-doing (LBD) effect is considered to describe the reduction of the costly price to the adoption. Moreover, spillovers effect which reflects how accumulated experience can be shared among different technologies, is integrated into the learning process. To ensure the specification convincing, some reasonable assumptions are considered such as one abatement technology must conduct its own experience in order to realize the spillover. Besides, to investigate how the abatement process is influenced by the technology allocation under the spillovers effect, an endogenous emission path is considered to necessitate a meaningful optimization problem. Finally, apart from obtaining some basic properties of the model, we implement an empirical study to verify the effectiveness of the model. Data from the iron industry in China is used to specify the process, which can highlight the spillovers effect among different technologies from a sector angle. In the results, we find that intrinsic mechanism in the model results in the interplay among abatement coefficient, spillover factor and the growing rate of the emission etc. Collaborative relationships between variables are discussed as well.

A total of 370 samples of agricultural soils were collected from the Pinggu district of Beijing to distinguish the natural and anthropogenic sources of potentially hazardous elements (PHEs) and to investigate the relationships between the PHEs and soil properties. The concentrations of potentially hazardous elements were detected in soil, and their median values (mg/kg) followed a decreasing order: V (81.4) > Zn (75.5) > Cr (68.4) > Ni (27.7) > Cu (27.1) > Co (12.6) > Cd (0.240) > Hg (0.096). The methods of multivariate statistical analysis were applied for source identification. It was determined that Co, Ni, Cr and V were primarily originated from the parent material of the soils, and that Cd, Cu, Zn and Hg were added primarily from agricultural cultivation. These results were confirmed by the method of spatial variability. Furthermore, the results of a linear model of redundancy analysis suggested that Co, Ni, Cr and V were closely associated with Fe2O3 and Al2O3, while Cd, Cu, Zn, Hg were associated with P, N and organic matter. In addition, the ecological risks were assessed for the evaluated elements in the soil of the study area. Our research provides comprehensive approaches to better understand the potential sources and the fate of contaminants in agricultural soils.

Global climate change is one of the most serious environmental problems that has attracted an unprecedented global attention. The scientific community has recognized that human activity is mostly responsible for global climate warming. Therefore, states participating in the United Nations Framework Convention on Climate Change (UNFCCC) have initiated a series of negotiations on how to develop their own emission reduction targets. However, the realization of these targets is at the expense of economic development to a great extent. Therefore, an abatement plan is necessary to decide how and when to implement emission reduction targets. A marginal abatement cost curve (MACC), often used as an important quantitative tool to estimate abatement burden or evaluate abatement performance, should be considered carefully. In this paper, we enrich the traditional MACC by introducing the concept of an “immediate unit marginal abatement cost” to describe its intrinsic incremental abatement difficulty. This cost is proved to be agreed with the actual situation in many ways, and is therefore very suitable for practical use. Two-factor learning curve are considered in the model, which can go some way in improving the performance of the revised MACC. Using a parameterization method, the original problem can be converted into a tractable nonlinear programming problem. We use an algorithm to search for the approximate global optimal solution. The effectiveness and the efficiency of the algorithm are discussed respectively. In the results, we find that the abatement path distinguishes largely under different abatement targets. Some plausible reasons and policy advices are given.

A hybrid model has been proposed to study abatement technology adoption.Output, R&D investment, and adoption time are optimized at the same time.A CVP method has been adopted to solve the model numerically.Revenue relationships can significantly influence the timing of adoption.Firm may skip some technologies to adopt a higher advanced one directly. Advanced abatement technology adoption has been attached a great importance upon the economic profit especially in the traditional energy intensive industries. In making the adoption decision, a firm has to evaluate the economic profit between the adoption of the advanced technologies and the traditional ones. Moreover, due to the learning-by-searching (LBS) effect, it is preferable to invest upon the installed abatement technology to further increasing the economic profit. Thus, to describe a comprehensive decision strategy, we proposed a hybrid model including output, R&D investment as well as the adoption time to be optimized at the same time. Regarding these as the decision variables, our formulation gives rise to an optimal switching problem for a hybrid system, however, which can hardly be solved analytically. To implement the numerical simulation, we make a transformation in the parameter filed in order to use the control vector parameterization method to solve the original problem. Thus, the proposed optimal control problem can be converted into a non-linear programming problem (NLP), which can be solved conveniently and effectively using the current technique. Based on these facts, we shows that some key economic parameters that inherently define the revenue relationships outside the firm can significantly influence the time of adoption. Furthermore, considering the problem in the multi-technology adoption case, the process can perform in such an unusual way that the firm can leap over some transition technologies to adopt a higher advanced one directly, from which corresponding results are discussed as well.

China&rsquo, s steel industry is an energy-intensive sector. Synergistic reduction of emissions of CO2 and air pollutants (SO2, NOx, and PM2.5) in the steel industry has an important practical significance for climate change and air pollution control. According to the CO2 emission reduction intensity targets (CERO) and air pollutant emission targets (PERO) for 2020 and 2030, 28 types of energy-saving and emission reduction technologies (20 types of carbon reduction technology and eight types of air pollution end-of-pipe technology) were selected for examination, and a two-stage dynamic optimization model with collaborative implementation of PERO and CERO was built to assess the near future (2015&ndash, 2020) and long-term (2020&ndash, 2030) implementation plans for synergistic emissions reduction of CO2 and air pollutants. The results show that in the near future, the implementation of PERO will have a greater synergistic effect on CO2 emission reduction. CO2 emission reduction under PERO in 2020 will be 97 million tons (Mt) higher than that of CERO, an increase of nearly 26%. However, the effects of implementing CERO are better in the long run. Under CERO, the emission reductions of SO2, NOx, and PM2.5 in 2030 are 2.44 Mt, 1.47 Mt, and 0.86 Mt, respectively, and 7%, 4%, and 5% higher than the implementation of PERO. As far as marginal abatement cost is concerned, in the near future, the marginal abatement costs of CO2 and air pollutant equivalents are 1.06 yuan/kgCO2 and 133 yuan/kg pollution equivalent (pe) under PERO, which are 23% and 11% lower than that of CERO, while in the long run, the marginal abatement costs of CO2 and pollutant equivalents under CERO are 0.025 yuan/kgCO2 and 2.73 yuan/kgpe, about 96% and 95% lower than that of PERO.

Background Polidocanol foam (PF), used clinically as a venous sclerosant, has recently been studied as a safe and inexpensive means for permanent contraception. Delivering the sclerosant to the fallopian tubes as a foam rather than a liquid increases the surface areas and thus enhances the desired epithelial disrupting activity of the agent. However, the foam is inherently unstable and degrades with time. Therefore, increasing foam stability and thus duration of the agent exposure time could increase epithelial effect while allowing reduction in agent concentration and potential toxicity. Materials and Methods We studied methods to improve foam properties that might improve safety and efficacy of PF for intrauterine application. Several types of microporous filters adapted to a syringe-based foaming device were used to study the effect of pore structures on the formation of PF. The foam drainage time and bubble size were characterized. The addition of benzalkonium chloride (BZK) to polidocanol was also investigated for its effects on foam characteristics. Results A syringe-based foaming device adapted with an inline filter produced smaller bubble PF with a longer foam drainage time. PF generated with a circular pore filter lasts longer than with a noncircular pore filter. The addition of 0.01% of BZK also improved the stability of PF. Conclusion The stability of PF is affected by the pore characteristics of the filter used for foam generation and enhanced by the presence of a small amount of BZK. The improved foam, if shown to be efficacious in animal models of contraception, could lead to a safe, simple and inexpensive method alternative to surgical contraception.

Grain refining is one of the most important issues in the applications of Mg alloys, which directly determines mechanical properties and deformability. Therefore the understanding of grain refining mechanism during solidification will be benefit to develop new grain refiners. Herein refining role was elucidated by the first principles calculations based on adsorption behavior of a Mg atom on the closest-packed planes of grain refiners (Zr (001), Al2Y(311) and Al4C3(102)). Taking into account different sites, the site with the maximum adsorption energy value generally corresponded to the most possible location. The adsorption energy results show that the possible refining turn follows Al4C3(102)>Zr (001)>Al2Y(311). Meanwhile, the structural optimization confirmed that the Mg atom connected with two C atoms on the top of zig-zag plane of Al4C3(102), three Zr atoms at the hcp position on Zr (001), and two Y atoms and one Al atom at the bottom of zig-zag plane of Al2Y(311). The density of states revealed that the variation of d-orbital electrons of Mg atom became apparent during adsorption process. The values of Mulliken charges were 0.898 e in Al4C3(102), 0.410 e in Zr (001) and 0.245 e in Al2Y(311), respectively. This tendency agrees well with the previous experimental results. It indicates the adsorption energy on the closest-packed planes can be regarded as a prerequisite to select new grain refiners for Mg alloys in future.

In this study, we aim to increase net economic profit by utilizing a systematic approach to optimize the entire network via combining carbon dioxide (CO2) supply of carbon capture and storage (CCS) with CO2 injection of carbon sequestration. We consider a special type of network structure and simultaneously address the optimal location of the potential hubs. The continuous selection problem of the hub location brings practical difficulties to the model, both in terms of solution efficiency and model representation. In the case that the EOR (enhanced oil recovery) conversion level is time-varying, the decision-making variables—such as the hub location, pipeline size, and flow rate design—show different degrees of interplays, which brings great uncertainty to the final decision. We apply our framework to four instances of the CCS-EOR network design combined with the hub location selection problem to demonstrate the effectiveness of the model.

X-chromosomal STRs (X-STRs) have been used as complements of autosomal STR application in recent years. In this work, we present population genetic data of 12 X-STRs including DXS101, DXS10159, DXS10162, DXS10164, DXS6789, DXS7133, DXS7423, DXS7424, DXS8378, DXS981, GATA165B12, and GATA31E08 loci in a sample of 231 unrelated healthy individuals from the Hui ethnic group in Ningxia Hui Autonomous Region, China. Allelic frequencies of the 12 X-STR loci and haplotypic frequencies of the reported linkage groups (DXS7424-DXS101 and DXS10159-DXS10164-DXS10162) were investigated in the group, respectively. No STR loci showed significant deviations from the Hardy-Weinberg equilibriums and no linkage disequilibriums of pairwise loci were found after Bonferroni correction, respectively. A combined power of discrimination in female individuals was 0.999999999985 and that in male individuals was 0.99999967, respectively. The combined mean exclusion chance in deficiency cases, normal trios and duo cases were 0.999934, 0.995754, and 0.999796, respectively. Significant differences were observed from 0 to 8 loci, when making comparisons between the data of Hui ethnic group and previously reported data from other 16 populations. The results indicated the new panel of 12 X-STR loci might be useful for forensic science application.

How to minimize the emission of air pollutants while making decisions about mitigating climate change has become a hot research topic. Considering the homologous homology of the two types of emissions, it is completely feasible to achieve synergistic control for different pollutants through a rational allocation of technology investment. To attain this goal, in this paper, I propose a pollutant synergistic control model. Carbon and sulfur emissions are chose as the major control object. Under a weak condition, I obtained analytical expressions for two types of cleaner technology investment paths, technology capital accumulation paths, and emission reduction paths. Further, characteristics of the respective paths, and the conditions for meeting the corresponding theoretical inflection points or peaks, were analyzed, which lays a foundation for applications of the theory. In particular, this study draws the necessary and sufficient conditions for an internal solution to the choice of cleaner technology, which is a powerful and practical evaluation index. The theoretical predictions were verified with numerical simulation. The investment of the two types of cleaner technologies peaked during the 10th period, and the capital accumulation peaked during 15th period after a slight delay. The actual measured investment and subsidy feedback gains were around the 0.04 and 0.02 levels. In addition, different combinations of targets for sulfur and carbon reduction also simulated scenarios in which the model had different internal solutions. The relevant theoretical exploration work in this paper has deep implications for policy decisions in the real world.

In this study, we investigated polymorphic distributions of allelic frequencies and forensic genetic parameters of 21 novel autosomal microsatellite loci from 110 unrelated healthy individuals of Chinese Yi ethnic group. Expected heterozygosity, power of discrimination, and polymorphic information content ranged from 0.617 to 0.812, 0.777 to 0.936 and 0.560 to 0.790. The microsatellite loci showed high forensic efficiency. The total discrimination power and cumulate probability of exclusion were 0.99999999999999999986902 and 0.999998818, respectively. Locus-by-locus allelic frequencies were compared using analysis of molecular variance (AMOVA) method, and the statistically significant differences were observed between Yi group and Russian, Tujia, Kazak, Bai, Ningxia Han, Salar, Tibetan, and Uigur groups at 5, 6, 7, 7, 7, 8, 12, and 13 loci, respectively. The results of genetic distance comparisons, genetic structure analyses, and principal component analysis all indicated that the Yi group showed relatively short genetic relationships with Russian, Salar, and Bai group. The experimental results showed that the 21 loci in the multiplex system provided highly polymorphic information and forensic efficiency for forensic individual identification and paternity testing, also basic population data for population genetics and anthropological research.

Molecular modeling efforts aimed at probing the structure, function and inhibition of the acetylcholinesterase enzyme have abounded in the last decade, largely because of the system's importance to medical conditions such as myasthenia gravis, Alzheimer's disease and Parkinson's disease, and well as its famous toxicological susceptibility to nerve agents. The complexity inherent in such a system with multiple complementary binding sites, critical dynamic effects and intricate mechanisms for enzymatic function and covalent inhibition, has led to an impressively diverse selection of simulation techniques being applied to the system, including quantum chemical mechanistic studies, molecular docking prediction of noncovalent complexes and their associated binding free energies, molecular dynamics conformational analysis and transport kinetics prediction, and quantitative structure activity relationship modeling to tie salient details together into a coherent predictive tool. Effective drug and prophylaxis design strategies for a complex target like this requires some understanding and appreciation for all of the above methods, thus it makes an excellent case study for multi-tiered pharmaceutical modeling. This paper reviews a sample of the more important studies on acetylcholinesterase and helps to elucidate their interdependencies. Potential future directions are introduced based on the special methodological needs of the acetylcholinesterase system and on emerging trends in molecular modeling.

In this study, we investigated polymorphic distributions of allelic frequencies and forensic genetic parameters of 21 novel autosomal microsatellite loci from 110 unrelated healthy individuals of Chinese Yi ethnic group. Expected heterozygosity, power of discrimination, and polymorphic information content ranged from 0.617 to 0.812, 0.777 to 0.936 and 0.560 to 0.790. The microsatellite loci showed high forensic efficiency. The total discrimination power and cumulate probability of exclusion were 0.99999999999999999986902 and 0.999998818, respectively. Locus-by-locus allelic frequencies were compared using analysis of molecular variance (AMOVA) method, and the statistically significant differences were observed between Yi group and Russian, Tujia, Kazak, Bai, Ningxia Han, Salar, Tibetan, and Uigur groups at 5, 6, 7, 7, 7, 8, 12, and 13 loci, respectively. The results of genetic distance comparisons, genetic structure analyses, and principal component analysis all indicated that the Yi group showed relatively short genetic relationships with Russian, Salar, and Bai group. The experimental results showed that the 21 loci in the multiplex system provided highly polymorphic information and forensic efficiency for forensic individual identification and paternity testing, also basic population data for population genetics and anthropological research.

The adsorption and dissociation of oxygen molecule on Ti3Al (0001) surface have been investigated by density functional theory (DFT) with the generalized gradient approximation (GGA). All possible adsorption sites including nine vertical and fifteen parallel sites of O2 are considered on Ti3Al (0001) surface. It is found that all oxygen molecules dissociate except for three vertical adsorption sites after structure optimization. This indicates that oxygen molecules prefer to dissociate on the junction site between Ti and Al atoms. Oxygen atoms coming from dissociation of oxygen molecule tend to occupy the most stable adsorption sites of the Ti3Al (0001) surface. The distance of O–O is related to the surface dissociation distance of Ti3Al (0001) surface. The valence electron localization function (ELF) and projected density of states (DOS) show that the bonds of O–O are breakaway at parallel adsorption end structures.

Polycrystalline Bi0.975La0.025Fe0.975Ni0.025O3 (BLFNO) film is fabricated on Pt/Ti/SiO2/Si(111) substrate by sol–gel method. It is found that the well-crystallized BLFNO film is polycrystalline, and the Pt/BLFNO/Pt capacitor possesses good ferroelectric properties with remnant polarization of 74 μC/cm2 at electric field of 833 kV/cm. Moreover, it is also found that the leakage current density of the Pt/BLFNO/Pt capacitor increases with the increase of measurement temperature ranging from 100 to 300 K. The leakage density of the Pt/BLFNO/Pt capacitor satisfies space-charge-limited conduction (SCLC) at higher electric field and shows little dependence on voltage polarity and temperature, but shows polarity and temperature dependence at lower applied electric field. With temperature increasing from 100 to 300 K at lower applied electric field, the most likely conduction mechanism is from Ohmic behavior to SCLC for positive biases, but no clear dominant mechanism for negative biases is shown.