Contact problems are one of the most challenging fields in virtual assembly. Information of contact states could be utilized to realize compliant motion of work pieces, to analyze the contact stress, to assist positio...Contact problems are one of the most challenging fields in virtual assembly. Information of contact states could be utilized to realize compliant motion of work pieces, to analyze the contact stress, to assist positioning parts and so on. Some methods have already been proposed to estimate contact states between objects and in most of these methods contact states between objects are simplified in order to realize real-time visual reality animation. While in virtual assembly contact states between parts are required to analyze contact stress, deformation and quality. Besides the contact state estimation method for virtual assembly should be able to handle a number of complex parts in real time. There are rarely known methods which could meet this requirement till now. In this study a contact state estimation algorithm based on surface-matching for virtual assembly is proposed. Contacts between parts are categorized into six basic types according to contact region of surfaces. Based on continuous collision detection of polyhedral models a novel contact state identification algorithm which is based on surface matching is proposed. Then contact evolution algorithm, which utilizes the extern force and contact information, is implemented to handle evolution of contact state. Finally a prototype system is developed to verify the above technologies. Experiment results reveal that contact state between parts could be estimated correctly in real time virtual assembly. The proposed contact state estimation algorithm provides a complete solution to obtain the contact state between parts in virtual assembly. Information of contact state between parts could be utilized to realize contact dynamic, contact stress analysis, assembly quality analysis, and so on.展开更多
Robot programming by demonstration (PBD) system for task in which objectrequires contact with environment is built based on the controlling skill model. The skill isdescribed in three aspects: contact state classifier...Robot programming by demonstration (PBD) system for task in which objectrequires contact with environment is built based on the controlling skill model. The skill isdescribed in three aspects: contact state classifier, acquirement of contact states sequence andcontrolling transition between states. The classifier is developed with the support vector machineby using force sense. Sequence of states is obtained from the force signal of demonstration by theevent trigger. The velocity command of transition is achieved by linearization method. The PBDsystem is successfully built with robot controller with open architecture.展开更多
P-type silicon heterojunction(SHJ) solar cells with a-SiC:H(n) emitters were studied by numerical computer simulation in this paper. The influence of interface states, conduction band offset, and front contact on...P-type silicon heterojunction(SHJ) solar cells with a-SiC:H(n) emitters were studied by numerical computer simulation in this paper. The influence of interface states, conduction band offset, and front contact on the performance of a-SiC:H(n)/c-Si(p) SHJ solar cells was investigated systematically. It is shown that the open circuit voltage(Voc) and fill factor(F F) are very sensitive to these parameters. In addition, by analyzing equilibrium energy band diagram and electric field distribution, the influence mechanisms that interface states, conduction band offset, and front contact impact on the carrier transport, interface recombination and cell performance were studied in detail. Finally, the optimum parameters for the a-SiC:H(n)/c-Si(p) SHJ solar cells were provided. By employing these optimum parameters, the efficiency of SHJ solar cell based on p-type c-Si was significantly improved.展开更多
Performances of ultrasonic motor (USM) considerably depend on contact state between stator and rotor.Based on an electric contact method,the effects of thickness of single homogeneous friction material and gradient fr...Performances of ultrasonic motor (USM) considerably depend on contact state between stator and rotor.Based on an electric contact method,the effects of thickness of single homogeneous friction material and gradient friction material on contact state between stator and rotor were studied.The relative contact length was employed to describe the contact characteristics of stator and rotor.With the decrease of thickness of friction material,the contact characteristic of stator and rotor were analyzed and compared when single homogeneous friction material and gradient friction material were used.The experimental results showed that the effect of gradient friction material on contact characteristic is smaller than that of single homogeneous friction material when the thickness of friction material decreases.The result can provide experimental guidance for design and choosing of friction material for USM.展开更多
Introduction: Tuberculosis is a major health problem in developing countries including Sudan. Screening for TB cases through Household contacts (HHCs) investigation is an appropriate strategy to interrupt transmission...Introduction: Tuberculosis is a major health problem in developing countries including Sudan. Screening for TB cases through Household contacts (HHCs) investigation is an appropriate strategy to interrupt transmission of TB. Objectives: To determine the prevalence tuberculosis infection and risk factors for tuberculosis infection among household contacts in Wadimadani locality, Central State, Sudan, between November 2015 and April 2016. Methods: An analytical cross-sectional study conducted. During study period, to confirm TB diagnosis, all suspect contacts were tested through sputum samples, tuberculin skin test or chest X-ray. Structured questionnaire was used to collect socio-demographic and environmental factors. Results: One hundred forty six patients of smear-positive pulmonary tuberculosis were included in the study, 657 household contacts were identified and screened. Forty three new TB cases were detected from household contacts, yielding a prevalence of 6.5% (95% confidence interval = 0.05, 0.09) of latent tuberculosis infection (LTBI). Two factors were significantly associated with LTBI among HHCs: duration of contact with a TB patient ≤ 4 months (P = 0.03) and the educational status (P = 0.02). Conclusion: Screening of HHCs of index case of TB will contribute in early detection and treatment of new cases, and considered as a forward step towards eliminating TB.展开更多
We investigate the effects of the surface states on the Schottky contacts in 4H-SiC MESFET. The Ti/Pt/Au gate metal contacts are deposited by electron beam evaporation and patterned by a lift-off process. Based on the...We investigate the effects of the surface states on the Schottky contacts in 4H-SiC MESFET. The Ti/Pt/Au gate metal contacts are deposited by electron beam evaporation and patterned by a lift-off process. Based on thermionic theory,a simple parameter extraction method is developed for determination of the surface states in metal/4H-SiC Schottky contacts. The interface state density and interface capacitance are calculated to be 4. 386 × 10^12 cm^-2 · eV^- 1 and 6. 394 × 10^-6 F/cm^2 ,which are consistent with the device's terminal characteristics.展开更多
We conducted a transient experimental investigation of steam–water direct contact condensation in the absence of noncondensible gas in a laboratory-scale column with the inner diameter of 325 mm and the height of 104...We conducted a transient experimental investigation of steam–water direct contact condensation in the absence of noncondensible gas in a laboratory-scale column with the inner diameter of 325 mm and the height of 1045 mm. We applied a new analysis method for the steam state equation to analyze the molar quantity change in steam over the course of the experiment and determined the transient steam variation. We also investigated the influence of flow rates and temperatures ofcooling water on the efficiency ofsteam condensation. Our experimental results show that appropriate increasing of the cooling water flow rate can significantly accelerate the steam condensation. We achieved a rapid increase in the total volumetric heat transfer coefficient by increasing the flow rate of cooling water, which indicated a higher thermal convection between the steam and the cooling water with higher flow rates. We found that the temperature ofcooling water did not play an important role on steam condensation. This method was confirmed to be effective for rapid recovering ofsteam.展开更多
A cell model to describe and optimize heat and mass transfer in contact heat exchangers for utilization of exhaust gases heat is proposed. The model is based on the theory of Markov chains and allows calculating heat ...A cell model to describe and optimize heat and mass transfer in contact heat exchangers for utilization of exhaust gases heat is proposed. The model is based on the theory of Markov chains and allows calculating heat and mass transfer at local moving force of the processes in each cell. The total process is presented as two parallel chains of cells (one for water flow and one for gas flow). The corresponding cells of the chains can exchange heat and mass, and water and gas can travel along their chains according to their transition ma-trices. The results of numerical experiments showed that the most part of heat transfer occurs due to moisture condensation from gas and the most intense heat transfer goes near the inlet of gas. Experimental validation of the model showed a good correlation between calculated and experimental data for an industrial contact heat exchanger if appropriate empirical equations were used to calculate heat and mass transfer coefficient. It was also shown that there exists the optimum height of heat exchanger that gave the maximum gain in heat energy utilization.展开更多
At present, an automatic-mechanic contact tap-changer is widely used in power system, but it can not frequently operate. In addition, arc will occur when the switch changes. In order to solve these two problems, this ...At present, an automatic-mechanic contact tap-changer is widely used in power system, but it can not frequently operate. In addition, arc will occur when the switch changes. In order to solve these two problems, this paper presented an automatic on-load voltage-regulating distributing transformer which employed non-contact solid-state relay as tap-changer, and mainly introduced its structure, basic principal, design method of each key link and experimental results. Laboratory simulation experiments informed that the scheme was feasible. It was a smooth and effective experiment device, which was practical in application.展开更多
The main challenges in development of traditional liquid lithium-sulfur batteries are the shuttle effect at the cathode caused by the polysulfide and the safety concern at the Li metal anode arose from the dendrite fo...The main challenges in development of traditional liquid lithium-sulfur batteries are the shuttle effect at the cathode caused by the polysulfide and the safety concern at the Li metal anode arose from the dendrite formation.All-solid-state lithium-sulfur batteries have been proposed to solve the shuttle effect and prevent short circuits.However,solid-solid contacts between the electrodes and the electrolyte increase the interface resistance and stress/strain,which could result in the limited electrochemical performances.In this work,the cathode of all-solid-state lithium-sulfur batteries is prepared by depositing sulfur on the surface of the carbon nanotubes(CNTs@S)and further mixing with Li10GeP2S12 electrolyte and acetylene black agents.At 60℃,CNTs@S electrode exhibits superior electrochemical performance,delivering the reversible discharge capacities of 1193.3,959.5,813.1,569.6 and 395.5 mAhg^-1 at the rate of 0.1,0.5,1,2 and 5 C,respectively.Moreover,the CNTs@S is able to demonstrate superior high-rate capability of 660.3 mAhg^-1 and cycling stability of 400 cycles at a high rate of 1.0 C.Such uniform distribution of the CNTs,S and Li10GeP2S12 electrolyte increase the electronic and ionic conductivity between the cathode and the electrolyte hence improves the rate performance and capacity retention.展开更多
The efficient and accurate synthesis of physical parameter-controllable impact sounds is essential for sound source identification. In this study, an impact sound synthesis model of a cylinder is proposed based on dis...The efficient and accurate synthesis of physical parameter-controllable impact sounds is essential for sound source identification. In this study, an impact sound synthesis model of a cylinder is proposed based on discrete state space(DSS) method and modal extension method(MEM). This model is comprised of the whole three processes of the physical interaction, i.e., the Hertz contact process, the transient structural response process, and the sound radiation process. Firstly,the modal expanded DSS equations of the contact system are constructed and the transient structural response of the cylinder is obtained. Then the impact sound of the cylinder is acquired using improved discrete Raleigh integral. Finally, the proposed model is verified by comparing with existing models. The results show that the proposed impact sound synthesis model is more accurate and efficient than the existing methods and easy to be extended to the impact sound synthesis of other structures.展开更多
To acquire human operation skill based on force sense, element contact form (ECF) is proposed to describe contact condition firstly. The skill is modeled as a sequence of discrete ECFs. Since different ECF has differe...To acquire human operation skill based on force sense, element contact form (ECF) is proposed to describe contact condition firstly. The skill is modeled as a sequence of discrete ECFs. Since different ECF has different force distribution, a support vector machine classifier is built to identify the contact conditions according to the force signal. Finally, the robot can obtain the skill from the human demonstration.展开更多
This paper includes descriptions of the stress distribution regularities in the tight joint parts, regularities of the stress state changes in the contact region along coupling length, stress concentration factors, le...This paper includes descriptions of the stress distribution regularities in the tight joint parts, regularities of the stress state changes in the contact region along coupling length, stress concentration factors, levels of additional stresses caused by press fitting. Distributions of stress intensity, axial stress, contact pressure, tangent stress in parts and in contact zone along coupling length are considered. Calculation results obtained by three approaches: Lame relationships, FEM without considering assembly method, FEM with considering press fitting process are analyzed and compared. The adequacy of research carried out is confirmed.展开更多
Robust and easy-to-handle solid-contact ion-selective electrodes (SC-ISEs) based on graphite paste have been developed for the potentiometric detection of NO-3 and NH+4 in environmental samples. Polypyrrole (PPy) has ...Robust and easy-to-handle solid-contact ion-selective electrodes (SC-ISEs) based on graphite paste have been developed for the potentiometric detection of NO-3 and NH+4 in environmental samples. Polypyrrole (PPy) has been used as intermediate layer and solid contact between the electron-conducting graphite paste substrate and the ion-conducting polyvinylchloride (PVC)-containing membrane with the immobilized ionophore. For the nitrate- and ammonium-selective electrodes, tridodecylmethylammonium nitrate (TDMA-NO3) and nonactin have been used as ion-complexing compounds, respectively. Both ISEs show nearly Nernstian response in the linear range from 10-5 mol/L to 10-1 mol/L with average slopes of >58 mV/decade. The ISEs possess short response times (<20 s).展开更多
We have developed an open-source cross-platform software toolkit entitled ACCEPT-NMR (Automated Crystal Contact Extrapolation/Prediction Toolkit for NMR) as a helpful tool to automate many of the complex tasks require...We have developed an open-source cross-platform software toolkit entitled ACCEPT-NMR (Automated Crystal Contact Extrapolation/Prediction Toolkit for NMR) as a helpful tool to automate many of the complex tasks required to find and visualize crystal contacts in structures of biomolecules and biomolecular assemblies. This toolkit provides many powerful features geared toward NMR spectroscopy and related disciplines, such as isotopic labeling, advanced visualization options, and reporting tools. Using this software, we have undertaken a survey of available chemical shift data in the literature and deposited in the BMRB, and show that the mere presence of one or more crystal contacts to a residue confers an approximately 65% likelihood of significant chemical shift perturbations (relative to solution NMR chemical shifts). The presence of each additional crystal contact subsequently increases this probability, resulting in predictive accuracies in excess of 80% in many cases. Conversely, the presence of a significant experimental chemical shift perturbation indicates a >60% likelihood of finding one or more crystal contacts to a particular residue. Pinpointing sites likely to experience large CSPs is critical to mapping solution NMR chemical shifts onto solid-state NMR data as a basis for preliminary assignments, and can thus simplify the assignment process for complex biomolecules. Mapping observed CSPs onto the molecular structure, on the other hand, can indicate the presence of crystal interfaces where no crystal structure is available. Finally, by detecting sites critical to intermolecular interfaces, ACCEPT-NMR can help guide experimental approaches (e.g. isotopic labeling schemes) to detect and probe specific inter-subunit interactions.展开更多
基金supported by National Natural Science Foundation of China (Grant No. 50805009)Fund of National Engineering and Research Center for Commercial Aircraft Manufacturing of China (Grant No. 07205)
文摘Contact problems are one of the most challenging fields in virtual assembly. Information of contact states could be utilized to realize compliant motion of work pieces, to analyze the contact stress, to assist positioning parts and so on. Some methods have already been proposed to estimate contact states between objects and in most of these methods contact states between objects are simplified in order to realize real-time visual reality animation. While in virtual assembly contact states between parts are required to analyze contact stress, deformation and quality. Besides the contact state estimation method for virtual assembly should be able to handle a number of complex parts in real time. There are rarely known methods which could meet this requirement till now. In this study a contact state estimation algorithm based on surface-matching for virtual assembly is proposed. Contacts between parts are categorized into six basic types according to contact region of surfaces. Based on continuous collision detection of polyhedral models a novel contact state identification algorithm which is based on surface matching is proposed. Then contact evolution algorithm, which utilizes the extern force and contact information, is implemented to handle evolution of contact state. Finally a prototype system is developed to verify the above technologies. Experiment results reveal that contact state between parts could be estimated correctly in real time virtual assembly. The proposed contact state estimation algorithm provides a complete solution to obtain the contact state between parts in virtual assembly. Information of contact state between parts could be utilized to realize contact dynamic, contact stress analysis, assembly quality analysis, and so on.
基金This project is supported by National Natural Science Foundation of China(No.6997S014) China 863 Robot Automatic Assembly Topic (No.863512972004).
文摘Robot programming by demonstration (PBD) system for task in which objectrequires contact with environment is built based on the controlling skill model. The skill isdescribed in three aspects: contact state classifier, acquirement of contact states sequence andcontrolling transition between states. The classifier is developed with the support vector machineby using force sense. Sequence of states is obtained from the force signal of demonstration by theevent trigger. The velocity command of transition is achieved by linearization method. The PBDsystem is successfully built with robot controller with open architecture.
基金supported by the National High Technology Research and Development Program of China(Grant No.2012AA050301)Scientific Research of Hebei Education Department,China(Grant No.QN2017135)
文摘P-type silicon heterojunction(SHJ) solar cells with a-SiC:H(n) emitters were studied by numerical computer simulation in this paper. The influence of interface states, conduction band offset, and front contact on the performance of a-SiC:H(n)/c-Si(p) SHJ solar cells was investigated systematically. It is shown that the open circuit voltage(Voc) and fill factor(F F) are very sensitive to these parameters. In addition, by analyzing equilibrium energy band diagram and electric field distribution, the influence mechanisms that interface states, conduction band offset, and front contact impact on the carrier transport, interface recombination and cell performance were studied in detail. Finally, the optimum parameters for the a-SiC:H(n)/c-Si(p) SHJ solar cells were provided. By employing these optimum parameters, the efficiency of SHJ solar cell based on p-type c-Si was significantly improved.
基金Sponsored by the National Natural Science Foundation of China(Grant No.50975057)the National Basic Research Program of China(Grant No.2007CB607602)
文摘Performances of ultrasonic motor (USM) considerably depend on contact state between stator and rotor.Based on an electric contact method,the effects of thickness of single homogeneous friction material and gradient friction material on contact state between stator and rotor were studied.The relative contact length was employed to describe the contact characteristics of stator and rotor.With the decrease of thickness of friction material,the contact characteristic of stator and rotor were analyzed and compared when single homogeneous friction material and gradient friction material were used.The experimental results showed that the effect of gradient friction material on contact characteristic is smaller than that of single homogeneous friction material when the thickness of friction material decreases.The result can provide experimental guidance for design and choosing of friction material for USM.
文摘Introduction: Tuberculosis is a major health problem in developing countries including Sudan. Screening for TB cases through Household contacts (HHCs) investigation is an appropriate strategy to interrupt transmission of TB. Objectives: To determine the prevalence tuberculosis infection and risk factors for tuberculosis infection among household contacts in Wadimadani locality, Central State, Sudan, between November 2015 and April 2016. Methods: An analytical cross-sectional study conducted. During study period, to confirm TB diagnosis, all suspect contacts were tested through sputum samples, tuberculin skin test or chest X-ray. Structured questionnaire was used to collect socio-demographic and environmental factors. Results: One hundred forty six patients of smear-positive pulmonary tuberculosis were included in the study, 657 household contacts were identified and screened. Forty three new TB cases were detected from household contacts, yielding a prevalence of 6.5% (95% confidence interval = 0.05, 0.09) of latent tuberculosis infection (LTBI). Two factors were significantly associated with LTBI among HHCs: duration of contact with a TB patient ≤ 4 months (P = 0.03) and the educational status (P = 0.02). Conclusion: Screening of HHCs of index case of TB will contribute in early detection and treatment of new cases, and considered as a forward step towards eliminating TB.
文摘We investigate the effects of the surface states on the Schottky contacts in 4H-SiC MESFET. The Ti/Pt/Au gate metal contacts are deposited by electron beam evaporation and patterned by a lift-off process. Based on thermionic theory,a simple parameter extraction method is developed for determination of the surface states in metal/4H-SiC Schottky contacts. The interface state density and interface capacitance are calculated to be 4. 386 × 10^12 cm^-2 · eV^- 1 and 6. 394 × 10^-6 F/cm^2 ,which are consistent with the device's terminal characteristics.
文摘We conducted a transient experimental investigation of steam–water direct contact condensation in the absence of noncondensible gas in a laboratory-scale column with the inner diameter of 325 mm and the height of 1045 mm. We applied a new analysis method for the steam state equation to analyze the molar quantity change in steam over the course of the experiment and determined the transient steam variation. We also investigated the influence of flow rates and temperatures ofcooling water on the efficiency ofsteam condensation. Our experimental results show that appropriate increasing of the cooling water flow rate can significantly accelerate the steam condensation. We achieved a rapid increase in the total volumetric heat transfer coefficient by increasing the flow rate of cooling water, which indicated a higher thermal convection between the steam and the cooling water with higher flow rates. We found that the temperature ofcooling water did not play an important role on steam condensation. This method was confirmed to be effective for rapid recovering ofsteam.
文摘A cell model to describe and optimize heat and mass transfer in contact heat exchangers for utilization of exhaust gases heat is proposed. The model is based on the theory of Markov chains and allows calculating heat and mass transfer at local moving force of the processes in each cell. The total process is presented as two parallel chains of cells (one for water flow and one for gas flow). The corresponding cells of the chains can exchange heat and mass, and water and gas can travel along their chains according to their transition ma-trices. The results of numerical experiments showed that the most part of heat transfer occurs due to moisture condensation from gas and the most intense heat transfer goes near the inlet of gas. Experimental validation of the model showed a good correlation between calculated and experimental data for an industrial contact heat exchanger if appropriate empirical equations were used to calculate heat and mass transfer coefficient. It was also shown that there exists the optimum height of heat exchanger that gave the maximum gain in heat energy utilization.
文摘At present, an automatic-mechanic contact tap-changer is widely used in power system, but it can not frequently operate. In addition, arc will occur when the switch changes. In order to solve these two problems, this paper presented an automatic on-load voltage-regulating distributing transformer which employed non-contact solid-state relay as tap-changer, and mainly introduced its structure, basic principal, design method of each key link and experimental results. Laboratory simulation experiments informed that the scheme was feasible. It was a smooth and effective experiment device, which was practical in application.
基金supported by the National Key R&D Program of China (Grant no. 2016YFB0100105)the National Natural Science Foundation of China (Grant no. 51872303)+1 种基金Zhejiang Provincial Natural Science Foundation of China (Grant no. LD18E020004, LQ16E020003, LY18E020018, LY18E030011)Youth Innovation Promotion Association CAS (2017342)
文摘The main challenges in development of traditional liquid lithium-sulfur batteries are the shuttle effect at the cathode caused by the polysulfide and the safety concern at the Li metal anode arose from the dendrite formation.All-solid-state lithium-sulfur batteries have been proposed to solve the shuttle effect and prevent short circuits.However,solid-solid contacts between the electrodes and the electrolyte increase the interface resistance and stress/strain,which could result in the limited electrochemical performances.In this work,the cathode of all-solid-state lithium-sulfur batteries is prepared by depositing sulfur on the surface of the carbon nanotubes(CNTs@S)and further mixing with Li10GeP2S12 electrolyte and acetylene black agents.At 60℃,CNTs@S electrode exhibits superior electrochemical performance,delivering the reversible discharge capacities of 1193.3,959.5,813.1,569.6 and 395.5 mAhg^-1 at the rate of 0.1,0.5,1,2 and 5 C,respectively.Moreover,the CNTs@S is able to demonstrate superior high-rate capability of 660.3 mAhg^-1 and cycling stability of 400 cycles at a high rate of 1.0 C.Such uniform distribution of the CNTs,S and Li10GeP2S12 electrolyte increase the electronic and ionic conductivity between the cathode and the electrolyte hence improves the rate performance and capacity retention.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11574249 and 11874303)the Natural Science Basic Research Plan in Shaanxi Province of China(Grant No.2018JQ1001)
文摘The efficient and accurate synthesis of physical parameter-controllable impact sounds is essential for sound source identification. In this study, an impact sound synthesis model of a cylinder is proposed based on discrete state space(DSS) method and modal extension method(MEM). This model is comprised of the whole three processes of the physical interaction, i.e., the Hertz contact process, the transient structural response process, and the sound radiation process. Firstly,the modal expanded DSS equations of the contact system are constructed and the transient structural response of the cylinder is obtained. Then the impact sound of the cylinder is acquired using improved discrete Raleigh integral. Finally, the proposed model is verified by comparing with existing models. The results show that the proposed impact sound synthesis model is more accurate and efficient than the existing methods and easy to be extended to the impact sound synthesis of other structures.
文摘To acquire human operation skill based on force sense, element contact form (ECF) is proposed to describe contact condition firstly. The skill is modeled as a sequence of discrete ECFs. Since different ECF has different force distribution, a support vector machine classifier is built to identify the contact conditions according to the force signal. Finally, the robot can obtain the skill from the human demonstration.
文摘This paper includes descriptions of the stress distribution regularities in the tight joint parts, regularities of the stress state changes in the contact region along coupling length, stress concentration factors, levels of additional stresses caused by press fitting. Distributions of stress intensity, axial stress, contact pressure, tangent stress in parts and in contact zone along coupling length are considered. Calculation results obtained by three approaches: Lame relationships, FEM without considering assembly method, FEM with considering press fitting process are analyzed and compared. The adequacy of research carried out is confirmed.
文摘Robust and easy-to-handle solid-contact ion-selective electrodes (SC-ISEs) based on graphite paste have been developed for the potentiometric detection of NO-3 and NH+4 in environmental samples. Polypyrrole (PPy) has been used as intermediate layer and solid contact between the electron-conducting graphite paste substrate and the ion-conducting polyvinylchloride (PVC)-containing membrane with the immobilized ionophore. For the nitrate- and ammonium-selective electrodes, tridodecylmethylammonium nitrate (TDMA-NO3) and nonactin have been used as ion-complexing compounds, respectively. Both ISEs show nearly Nernstian response in the linear range from 10-5 mol/L to 10-1 mol/L with average slopes of >58 mV/decade. The ISEs possess short response times (<20 s).
文摘We have developed an open-source cross-platform software toolkit entitled ACCEPT-NMR (Automated Crystal Contact Extrapolation/Prediction Toolkit for NMR) as a helpful tool to automate many of the complex tasks required to find and visualize crystal contacts in structures of biomolecules and biomolecular assemblies. This toolkit provides many powerful features geared toward NMR spectroscopy and related disciplines, such as isotopic labeling, advanced visualization options, and reporting tools. Using this software, we have undertaken a survey of available chemical shift data in the literature and deposited in the BMRB, and show that the mere presence of one or more crystal contacts to a residue confers an approximately 65% likelihood of significant chemical shift perturbations (relative to solution NMR chemical shifts). The presence of each additional crystal contact subsequently increases this probability, resulting in predictive accuracies in excess of 80% in many cases. Conversely, the presence of a significant experimental chemical shift perturbation indicates a >60% likelihood of finding one or more crystal contacts to a particular residue. Pinpointing sites likely to experience large CSPs is critical to mapping solution NMR chemical shifts onto solid-state NMR data as a basis for preliminary assignments, and can thus simplify the assignment process for complex biomolecules. Mapping observed CSPs onto the molecular structure, on the other hand, can indicate the presence of crystal interfaces where no crystal structure is available. Finally, by detecting sites critical to intermolecular interfaces, ACCEPT-NMR can help guide experimental approaches (e.g. isotopic labeling schemes) to detect and probe specific inter-subunit interactions.