BACKGROUND Breast cancer brain metastasis(BCBM)is an advanced breast disease that is difficult to treat and is associated with a high risk of death.Patient prognosis is usually poor,with reduced quality of life.In thi...BACKGROUND Breast cancer brain metastasis(BCBM)is an advanced breast disease that is difficult to treat and is associated with a high risk of death.Patient prognosis is usually poor,with reduced quality of life.In this context,we report the case of a patient with HER-2-positive BCBM treated with a macromolecular mAb(ine-tetamab)combined with a small molecule tyrosine kinase inhibitor(TKI).CASE SUMMARY The patient was a 58-year-old woman with a 12-year history of type 2 diabetes.She was compliant with regular insulin treatment and had good blood glucose control.The patient was diagnosed with invasive carcinoma of the right breast(T3N1M0 stage IIIa,HER2-positive type)through aspiration biopsy of the ipsilateral breast due to the discovery of a breast tumor in February 2019.Immunohistochemistry showed ER(-),PR(-),HER-2(3+),and Ki-67(55-60%+).Preoperative neoadjuvant chemotherapy,i.e.,the AC-TH regimen(epirubicin,cyclophosphamide,docetaxel-paclitaxel,and trastuzumab),was administered for 8 cycles.She underwent modified radical mastectomy of the right breast in November 2019 and received tocilizumab targeted therapy for 1 year.Brain metastasis was found 9 mo after surgery.She underwent brain metastasectomy in August 2020.Immunohistochemistry showed ER(-)and PR.(-),HER-2(3+),and Ki-67(10-20%+).In November 2020,the patient experienced headache symptoms.After an examination,tumor recurrence in the original surgical region of the brain was observed,and the patient was treated with inetetamab,pyrotinib,and capecitabine.Whole-brain radiotherapy was recommended.The patient and her family refused radiotherapy for personal reasons.In September 2021,a routine examination revealed that the brain tumor was considerably larger.The original systemic treatment was continued and combined with intensity-modulated radiation therapy for brain metastases,followed by regular hospitalization and routine examinations.The patient’s condition is generally stable,and she has a relatively high quality of life.This case report demonstrates that in patients with BCBM and resistance to trastuzumab,inetetamab combined with pyrotinib and chemotherapy can prolong survival.CONCLUSION Inetetamab combined with small molecule TKI drugs,chemotherapy and radiation may be an effective regimen for maintaining stable disease in patients with BCBM.展开更多
The BL19U2 at the Shanghai Synchrotron Radiation Facility is a small-angle X-ray scattering beamline dedicated to structural studies pertaining to biological macromolecules in solution.The beamline has been officially...The BL19U2 at the Shanghai Synchrotron Radiation Facility is a small-angle X-ray scattering beamline dedicated to structural studies pertaining to biological macromolecules in solution.The beamline has been officially opened to users in March 2015,and since then,a series of technological innovations has been developed to optimize beamline performance,thereby significantly improving the data collection efficiency and broadening the application scope of biological small-angle X-ray scattering.BL19U2 is ideal for the high-throughput screening of weakly scattered proteins,protein assemblies,nucleic acids,inorganic nanomaterials,and organic drug molecules.This paper describes the design and overview of the BL19U2 beamline.Versatile sample environments at the experimental station and some recent scientific highlights are presented.展开更多
A novel capillary electrophoresis method coupled with on-line microdialysis using an attachable electrode has been developed to study the interaction of macromolecule with small molecule. The binding constants of bovi...A novel capillary electrophoresis method coupled with on-line microdialysis using an attachable electrode has been developed to study the interaction of macromolecule with small molecule. The binding constants of bovine serum album (BSA) with D,L-tryptophan (Trp), sulfamethoxazole (SMZ) with trypsin and chymotrypsin were determined. These values are 2.3 x 10(4)L/mol for BSA-L-Trp; 1.77 x 10(3) L/mol for BSA-D-Trp in pH 7.4, 50 mmol/ L phosphate; 1.4 x 10(4) L/mol for SMZ- trypsin and 6.0 x 10(3) L/mol for SMZ-chymotrypsin in pH 6.5, 25 mmol/L Tris buffer. The proposed method has merits of speed, low sample consumption and readily available to be performed in desired physiological conditions.展开更多
In the construction of biosensors, enzymes function as mediators converting biological signals generated by specific biological processes, into electrochemical signals. The ideology of bio-sensor design is retention o...In the construction of biosensors, enzymes function as mediators converting biological signals generated by specific biological processes, into electrochemical signals. The ideology of bio-sensor design is retention of electron transfer activity of the enzyme utilizing superior interfacial architecture. In this work a Schiff-base macromolecule has been synthesized by reflux of 2, 3-diaminonaphthalene and pyrrole-2-carboxaldehyde starting materials. The Schiff-base ligand was subsequently complexed with FeCl2?4H2O under reflux, to produce the Fe-Schiff-base complex. The Schiff-base ligand and Fe-Schiff-base complex were characterized using nuclear magnetic resonance (NMR) spectroscopy, Ultra Violet/Visible (UV/Vis) spectroscopy, Fourier transfer infrared resonance (FTIR) and electron energy loss spectroscopy (EELS) to confirm the structure of the synthesis products. NMR spectroscopy confirmed the imide linkage of Schiff-base formation as two symmetrical peaks at 8.1 and 7.7 ppm respectively. Comparison of starting materials and product spectra by UV/Vis spectroscopy confirmed the disappearance of the diaminonaphthalene peak at 250 nm as evidence of complete conversion to product. FTIR spectroscopy of the Schiff-base ligand confirmed the formation of the imine bond at 1595 cm-1. EELS spectra comparing FeCl2?4H2O and the Fe-Schiff-base complex, showed good agreement in the energy loss profiles associated with changes to the electronic arrangement of Fe d-orbitals. EDS clearly identified a spectral band for Fe (7 - 8 eV) in the Fe-Schiff-base complex. Electrochemical evaluation of the Fe-Schiff-base complex was compared to the electrochemical signature of denatured cytochrome-C using cyclic voltammetry and square wave voltammetry. The Fe2+/Fe3+ quasi-reversible behavior for iron in the metallated complex was observed at -0.430 V vs. Ag/AgCl, which is consistent with reference values for iron in macromolecular structures.展开更多
In many sources of volatile organic compounds (VOCs), large amounts of water vapor come from the air and the reactors. The relative humidity (RH) of exhaust gas is normally >60% and is supersaturated. Maintaining t...In many sources of volatile organic compounds (VOCs), large amounts of water vapor come from the air and the reactors. The relative humidity (RH) of exhaust gas is normally >60% and is supersaturated. Maintaining the property of adsorbent on VOCs in a highly humid gas stream is a serious industrial problem. In this study, the adsorption/desorption behavior of toluene in a micro-mesoporous polymeric resin was investigated in a highly humid environment to explore the influence of abound water vapor on resin adsorption and regeneration. This resin could selectively adsorb toluene at an RH of 80%, and its adsorption property was unaffected by the presence of water vapor. In the case of humidity saturation, the resin displayed a high adsorption capacity at a moisture content of <30%. Therefore, the polymer resin is an excellent water-resistant adsorbent of VOCs. In the regenerative experiment, the resin maintained its original adsorption capability after four adsorption/ desorption cycles of toluene purging with nitrogen gas at 120℃. The resin exhibited excellent regeneration performance at high humidity.展开更多
The organic matter in tropospheric aerosol plays an important role in atmospheric physical and chemical processes. The bulk of organic matter, representing a significant proportion of the total suspended particulate ...The organic matter in tropospheric aerosol plays an important role in atmospheric physical and chemical processes. The bulk of organic matter, representing a significant proportion of the total suspended particulate (TSP) mass, is bound to polymeric material whose structure and properties are largely unknown. Here we used thermodesorption gas chromatography/mass spectrometry (Td-GC/MS) to study organic compounds of low molecular mass and pyrolysis gas chromatography/mass spectrometry (Py-GC/MS) to characterize the chemical structure of macromolecules in TSP samples collected in different seasons from different sites in Guangzhou. n-Alkanes, fatty acids and nitriles were the predominant compounds in the thermodesorption products, whereas aromatics, fatty acids, nitriles and n-alkanes/alkenes were the major compounds in the pyrolysates. The results indicated that aromatics were main units in macromolecules. The fatty acids and nltriles formed from carboxylic ammonium salts were detected in both thermodesorption products and pyrolysates at a certain concentration, indicating the importance of these compounds in TSP formation. The TSP source mainly determined the occurrence of compounds in samples from urban, suburban and forest sites, whereas the TSP source and formation process maybe controlled the seasonal variation in compounds detected. High levels of nitriles in summer samples from suburban and forest sites coincide with the release of ammonium from the land and of fatty acids from vegetation at these sites.展开更多
Enrichment and immobilization of analytes by chemical bonding or physical adsorption is typically the first step in many commonly used analytical techniques. In this paper, we discuss a permeation drag based technique...Enrichment and immobilization of analytes by chemical bonding or physical adsorption is typically the first step in many commonly used analytical techniques. In this paper, we discuss a permeation drag based technique as an alternative approach for carrying out location-specific immobilization of macro- molecular analytes. Fluorescein isothiocyanate (FITC) labeled macromolecules and their complexes were enriched near the surface of ultrafiltration membranes and detected by direct visual observation and fluorescence imaging. The level of macromolecule enrichment at the immobilization sites could be controlled by manipulating the filtration rate and thereby the magnitude of permeation drag. Higher enrichment as indicated by higher fluorescence intensity was observed at higher filtration rates. Also, larger macromolecules were more easily enriched. The feasibility of using this technique for detecting immunocomplexes was demonstrated by carrying out experiments with FITC labeled bovine serum al- bumin (FITC-BSA) and its corresponding antibody. This permeation drag based enrichment technique could potentially be developed further to suit a range of analytical applications involving more sophis- ticated detection methods.展开更多
Perfluorooctanoyl modified poly(vinyl alcohol)s (FPVA) were prepared by means of substituting a small amount of hydroxyl groups on the backbone of poly(vinyl alcohol), for which the initial degree of polymerization is...Perfluorooctanoyl modified poly(vinyl alcohol)s (FPVA) were prepared by means of substituting a small amount of hydroxyl groups on the backbone of poly(vinyl alcohol), for which the initial degree of polymerization is equal to 1750. The substitution extent, defined by the number of substituting units in a chain, for the four FPVA samples was in the range of 0.5-5 perfluorooctanoyl groups per chain. The FPVA samples with the highest substitution extent still had good solubility in water. It was shown by experimental measurement at 30.0 +/- 0.1 degreesC that the surface tension of the aqueous solution of the highest substituted FPVA decreased to 16.6 mN/m at a higher concentration, e.g. about 0.1 g/mL. Obviously, macromolecules of FPVA exhibit a very strong tendency to adsorb at the air-water interface, because the hydrophobic perfluorooctanoyl groups in FPVA have a very high surface activity as they are in small molecular fluorinated surfactants. The chain conformation of such a model polymer adsorbed on the air-water interface was also discussed.展开更多
The paper presents a multi-scale modelling approach for simulating macromolecules in fluid flows. Macromolecule transport at low number densities is frequently encountered in biomedical devices, such as separators, de...The paper presents a multi-scale modelling approach for simulating macromolecules in fluid flows. Macromolecule transport at low number densities is frequently encountered in biomedical devices, such as separators, detection and analysis systems. Accurate modelling of this process is challenging due to the wide range of physical scales involved. The continuum approach is not valid for low solute concentrations, but the large timescales of the fluid flow make purely molecular simulations prohibitively expensive. A promising multi-scale modelling strategy is provided by the meta-modelling approach considered in this paper. Meta-models are based on the coupled solution of fluid flow equations and equations of motion for a simplified mechanical model of macromolecules. The approach enables simulation of individual macromolecules at macroscopic time scales. Meta-models often rely on particle-corrector algorithms, which impose length constraints on the mechanical model. Lack of robustness of the particle-corrector algorithm employed can lead to slow convergence and numerical instability. A new FAst Linear COrrector (FALCO) algorithm is introduced in this paper, which significantly improves computational efficiency in comparison with the widely used SHAKE algorithm. Validation of the new particle corrector against a simple analytic solution is performed and improved convergence is demonstrated for ssDNA motion in a lid-driven micro-cavity.展开更多
The elasticity of an individual polymer nanoparticle may be greatly different from that of the bulk one. Understanding the properties of individual particles such as elasticity and deformation under external forces is...The elasticity of an individual polymer nanoparticle may be greatly different from that of the bulk one. Understanding the properties of individual particles such as elasticity and deformation under external forces is of great importance in controlling the final structures and functions of bulk materials. We study the compression properties of single polyethylenimine (PEI) particles using vibrating scanning polarization force microscopy. By controllably imaging PEI particles at different vibration amplitude set-point values, it is demonstrated that we can compress the single PEI nanoparticle with an atomic force microscopy tip in different loads. Based on the force-height and force-strain curves obtained, Young's moduli of PEI (5-160 MPa) in three force regions are estimated according to the Hertz model The results indicate that PEI has excellent elasticity, which may contribute to its high efficiency as vectors in gene transfection.展开更多
A numerical analysis of Newtonian and non-Newtonian flow in an axi-symmetric tube with a local constriction simulating a stenosed artery under steady and pulsatile flow conditions war carried out. Bared on these resul...A numerical analysis of Newtonian and non-Newtonian flow in an axi-symmetric tube with a local constriction simulating a stenosed artery under steady and pulsatile flow conditions war carried out. Bared on these results, the concentration fields of LDL ( (low-density lipoprotein) and Albumin were discussed. According to the results, in great details the macromolecule transport influences of wall shear stress, non-Newtonian fluid character and the scale of the molecule etc are given. The results of Newtonian fluid flow and non-Newtonian fluid flow, steady flow and pulsatile flow are compared. These investigations can provide much valuable information about the correlation between the flow properties, the macromolecule transport and the development of atherosclerosis.展开更多
Functional research on biological macromolecules must fcus on specific loca regions.PDBlocal is aweb-based tool developed to overcome the limitations of traditional molecular visualization tools forthre-dimensional(3D...Functional research on biological macromolecules must fcus on specific loca regions.PDBlocal is aweb-based tool developed to overcome the limitations of traditional molecular visualization tools forthre-dimensional(3D)inspection of local regions.PDBlocal provides an intuitive and easy-to-manipulate web page interface and some new useful functions.It can kep loca regions flashing,display sequence text that is dynamically consistent with the 3D structure in local appearance undermultiple local manipulations,use two scenes to help users inspect the same local region withdifferent statuses,list all historical manipulation statuses with a tree structure,llow users toannotate regions ofinterest,and save ll historical statuses and other data to a web server for futureresearch.PDBlocal has met expectations and shown satisfactory performance for both expert andnovice users.This tool is available at http:/labsystem.scuec.edu.cn/pdblocal/.展开更多
A novel acrylate inimer, 2-(2-chloroacetyloxy) ethyl acrylate, was prepared by the reaction of 2-hydroxyethyl acrylate with chloroacetyl chloride in the presence of triethylamine. The self-condensing vinyl living ra...A novel acrylate inimer, 2-(2-chloroacetyloxy) ethyl acrylate, was prepared by the reaction of 2-hydroxyethyl acrylate with chloroacetyl chloride in the presence of triethylamine. The self-condensing vinyl living radical polymerization of the inimer was studied and the hyperbranched macromolecules containing ester linkages on their backbone were prepared. All the polymerization products were characterized by 1H NMR. The polymerization degree and the branching parameter were calculated based on the 1H NMR spectra. It has been shown that this inimer exhibits a very distinctive polymerization behavior. Similar to step-growth polymerization, the polymerization degree of the products formed increased exponentially during the early stage of the polymerization, and then the increasing rate slowed down. However, the inimer remained present throughout the polymerization consistent with conventional free radical polymerization. Also, if much longer polymerization time was used, the polymerization system would become gel due to the crosslinking reaction derived from radical-radical recombination. As a result of the unequal reactivity of -CH2Cl and >CHCl, an almost linear product was obtained at a molar ratio of bipy to inimer=0.05, while a relatively high ratio of bipy to inimer 1 favored the formation of the branched structure. The macromolecules formed at a high ratio of bipy to inimer 1 exhibited an excellent solubility in organic solvents such as acetone.展开更多
The idea of application from DNA information organization for providing the next generation super-computers has been proposed by lessons learned from nature. Thus, molecular environment of reserving information was co...The idea of application from DNA information organization for providing the next generation super-computers has been proposed by lessons learned from nature. Thus, molecular environment of reserving information was considered as succeeding generation of a mother-board project containing some subcategories with various applications. MERI, constructed based on the binary coding system using DNA synthesizer machine, enables retrievable reading of molecular structures using DNA sequencer machine. It has high capacity for reservation of information about 1.212 × 1011 Kb/cm2 with long-term stability. It can be used in various fields of science and technology regarding its high capacity, small size and safety measures.展开更多
Mefenamic acid (MA) is a high-dose, anti-inflammatory, analgesic agent that is widely prescribed for pain related to menstrual disorders. It has some negative properties, such as a high hydrophobicity with a propensit...Mefenamic acid (MA) is a high-dose, anti-inflammatory, analgesic agent that is widely prescribed for pain related to menstrual disorders. It has some negative properties, such as a high hydrophobicity with a propensity to stick to surfaces, and possess great problems during granulation and tableting. Crystallization kinetics was investigated for mefenamic acid. Availability of data on the kinetics of crystal growth is very important for the development and operation of industrial crystallisation processes. The experiments for the measurement of crystal growth kinetics were carried out using the desupersaturation curve technique based on the measurement of the solution concentration versus time in a seeded isothermal batch experiment. To predict the optimum parameters (b, kb, g, kg) for the nucleation and growth kinetics from the desupersaturation curve obtained, the Population Balance Modelling was used and solved by the method of moments. The initial values for the optimisation problem were estimated by using the approach developed by Garside et al. (1982) [1].展开更多
Corrodible metals are the newest kind of biodegradable materials and raise a new problem of the corrosion products.However,the removal of the precipitated products has been unclear and even largely ignored in publicat...Corrodible metals are the newest kind of biodegradable materials and raise a new problem of the corrosion products.However,the removal of the precipitated products has been unclear and even largely ignored in publications.Herein,we find that albumin,an abundant macromolecule in serum,enhances the solubility of corrosion products of iron in blood mimetic Hank’s solution significantly.This is universal for other main biodegradable metals such as magnesium,zinc and polyester-coated iron.Albumin also influences corrosion rates in diverse trends in Hank’s solution and normal saline.Based on quantitative study theoretically and experimentally,both the effects on corrosion rates and soluble fractions are interpreted by a unified mechanism,and the key factor leading to different corrosion behaviors in corrosion media is the interference of albumin to the Ca/P passivation layer on the metal surface.This work has illustrated that the interactions between metals and media macromolecules should be taken into consideration in the design of the next-generation metal-based biodegradable medical devices in the formulism of precision medicine.The improved Hank’s solution in the presence of albumin and with a higher content of initial calcium salt is suggested to access biodegradable metals potentially for cardiovascular medical devices,where the content of calcium salt is calculated after consideration of chelating of calcium ions by albumin,resulting in the physiological concentration of free calcium ions.展开更多
Carbon dioxide can be converted into functional heterocycles known as cyclic carbonates,whose recent reactivity has been expanded towards the formation of tailor-made engineering polymers.This minireview gives an over...Carbon dioxide can be converted into functional heterocycles known as cyclic carbonates,whose recent reactivity has been expanded towards the formation of tailor-made engineering polymers.This minireview gives an overview of the most topical developments in this area with a special focus on the synthetic methods employed to prepare these CO_(2)based synthons.In addition,their application potential in the area of polymer science using a variety of polymerization techniques is discussed that have in common the ring-opening of the carbonate monomers.Future perspectives are provided that provide impetus for the scientific communities aligning research to the use of sustainable processes for polymers from recyclable carbon sources such as CO_(2).展开更多
In last few years, therapeutic peptides/proteins are rapidly growing in drug market considering their higher efficiency and lower toxicity than chemical drugs. However, the administration of therapeutic peptides/prote...In last few years, therapeutic peptides/proteins are rapidly growing in drug market considering their higher efficiency and lower toxicity than chemical drugs. However, the administration of therapeutic peptides/proteins is mainly limited in parenteral approach. Oral therapy which was hampered by harsh gastrointestinal environment and poorly penetrating epithelial barriers often results in low bioavailability(less than 1%–2%). Therefore, delivery systems that are rationally designed to overcome these challenges in gastrointestinal tract and ameliorate the oral bioavailability of therapeutic peptides/proteins are seriously promising. In this review, we summarized various multifunctional delivery systems, including lipid-based particles, polysaccharide-based particles, inorganic particles, and synthetic multifunctional particles that achieved effective oral delivery of therapeutic peptides/proteins.展开更多
A model for describing the behavior ot macromoiecuies in aosoroea layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The...A model for describing the behavior ot macromoiecuies in aosoroea layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106and chain charged density of 0.254.展开更多
An encoding method has a direct effect on the quality and the representationof the discovered knowledge in data mining systems. Biological macromolecules are encoded by stringsof characters, called primary structures....An encoding method has a direct effect on the quality and the representationof the discovered knowledge in data mining systems. Biological macromolecules are encoded by stringsof characters, called primary structures. Knowing that data mining systems usually use relationaltables to encode data, we have then to re-encode these strings and transform them into relationaltables. In this paper, we do a comparative study of the existing static encoding methods, that arebased on the Biologist know-how, and our new dynamic encoding one, that is based on the constructionof Discriminant and Minimal Substrings (DMS). Different classification methods are used to do thisstudy. The experimental results show that our dynamic encoding method is more efficient than thestatic ones, to encode biological macromolecules within a data mining perspective.展开更多
文摘BACKGROUND Breast cancer brain metastasis(BCBM)is an advanced breast disease that is difficult to treat and is associated with a high risk of death.Patient prognosis is usually poor,with reduced quality of life.In this context,we report the case of a patient with HER-2-positive BCBM treated with a macromolecular mAb(ine-tetamab)combined with a small molecule tyrosine kinase inhibitor(TKI).CASE SUMMARY The patient was a 58-year-old woman with a 12-year history of type 2 diabetes.She was compliant with regular insulin treatment and had good blood glucose control.The patient was diagnosed with invasive carcinoma of the right breast(T3N1M0 stage IIIa,HER2-positive type)through aspiration biopsy of the ipsilateral breast due to the discovery of a breast tumor in February 2019.Immunohistochemistry showed ER(-),PR(-),HER-2(3+),and Ki-67(55-60%+).Preoperative neoadjuvant chemotherapy,i.e.,the AC-TH regimen(epirubicin,cyclophosphamide,docetaxel-paclitaxel,and trastuzumab),was administered for 8 cycles.She underwent modified radical mastectomy of the right breast in November 2019 and received tocilizumab targeted therapy for 1 year.Brain metastasis was found 9 mo after surgery.She underwent brain metastasectomy in August 2020.Immunohistochemistry showed ER(-)and PR.(-),HER-2(3+),and Ki-67(10-20%+).In November 2020,the patient experienced headache symptoms.After an examination,tumor recurrence in the original surgical region of the brain was observed,and the patient was treated with inetetamab,pyrotinib,and capecitabine.Whole-brain radiotherapy was recommended.The patient and her family refused radiotherapy for personal reasons.In September 2021,a routine examination revealed that the brain tumor was considerably larger.The original systemic treatment was continued and combined with intensity-modulated radiation therapy for brain metastases,followed by regular hospitalization and routine examinations.The patient’s condition is generally stable,and she has a relatively high quality of life.This case report demonstrates that in patients with BCBM and resistance to trastuzumab,inetetamab combined with pyrotinib and chemotherapy can prolong survival.CONCLUSION Inetetamab combined with small molecule TKI drugs,chemotherapy and radiation may be an effective regimen for maintaining stable disease in patients with BCBM.
基金the National Natural Science Foundation of China(Nos.U1832215 and U1832144)the Youth Innovation Promotion Association of Chinese Academy Science(No.2017319).
文摘The BL19U2 at the Shanghai Synchrotron Radiation Facility is a small-angle X-ray scattering beamline dedicated to structural studies pertaining to biological macromolecules in solution.The beamline has been officially opened to users in March 2015,and since then,a series of technological innovations has been developed to optimize beamline performance,thereby significantly improving the data collection efficiency and broadening the application scope of biological small-angle X-ray scattering.BL19U2 is ideal for the high-throughput screening of weakly scattered proteins,protein assemblies,nucleic acids,inorganic nanomaterials,and organic drug molecules.This paper describes the design and overview of the BL19U2 beamline.Versatile sample environments at the experimental station and some recent scientific highlights are presented.
文摘A novel capillary electrophoresis method coupled with on-line microdialysis using an attachable electrode has been developed to study the interaction of macromolecule with small molecule. The binding constants of bovine serum album (BSA) with D,L-tryptophan (Trp), sulfamethoxazole (SMZ) with trypsin and chymotrypsin were determined. These values are 2.3 x 10(4)L/mol for BSA-L-Trp; 1.77 x 10(3) L/mol for BSA-D-Trp in pH 7.4, 50 mmol/ L phosphate; 1.4 x 10(4) L/mol for SMZ- trypsin and 6.0 x 10(3) L/mol for SMZ-chymotrypsin in pH 6.5, 25 mmol/L Tris buffer. The proposed method has merits of speed, low sample consumption and readily available to be performed in desired physiological conditions.
文摘In the construction of biosensors, enzymes function as mediators converting biological signals generated by specific biological processes, into electrochemical signals. The ideology of bio-sensor design is retention of electron transfer activity of the enzyme utilizing superior interfacial architecture. In this work a Schiff-base macromolecule has been synthesized by reflux of 2, 3-diaminonaphthalene and pyrrole-2-carboxaldehyde starting materials. The Schiff-base ligand was subsequently complexed with FeCl2?4H2O under reflux, to produce the Fe-Schiff-base complex. The Schiff-base ligand and Fe-Schiff-base complex were characterized using nuclear magnetic resonance (NMR) spectroscopy, Ultra Violet/Visible (UV/Vis) spectroscopy, Fourier transfer infrared resonance (FTIR) and electron energy loss spectroscopy (EELS) to confirm the structure of the synthesis products. NMR spectroscopy confirmed the imide linkage of Schiff-base formation as two symmetrical peaks at 8.1 and 7.7 ppm respectively. Comparison of starting materials and product spectra by UV/Vis spectroscopy confirmed the disappearance of the diaminonaphthalene peak at 250 nm as evidence of complete conversion to product. FTIR spectroscopy of the Schiff-base ligand confirmed the formation of the imine bond at 1595 cm-1. EELS spectra comparing FeCl2?4H2O and the Fe-Schiff-base complex, showed good agreement in the energy loss profiles associated with changes to the electronic arrangement of Fe d-orbitals. EDS clearly identified a spectral band for Fe (7 - 8 eV) in the Fe-Schiff-base complex. Electrochemical evaluation of the Fe-Schiff-base complex was compared to the electrochemical signature of denatured cytochrome-C using cyclic voltammetry and square wave voltammetry. The Fe2+/Fe3+ quasi-reversible behavior for iron in the metallated complex was observed at -0.430 V vs. Ag/AgCl, which is consistent with reference values for iron in macromolecular structures.
文摘In many sources of volatile organic compounds (VOCs), large amounts of water vapor come from the air and the reactors. The relative humidity (RH) of exhaust gas is normally >60% and is supersaturated. Maintaining the property of adsorbent on VOCs in a highly humid gas stream is a serious industrial problem. In this study, the adsorption/desorption behavior of toluene in a micro-mesoporous polymeric resin was investigated in a highly humid environment to explore the influence of abound water vapor on resin adsorption and regeneration. This resin could selectively adsorb toluene at an RH of 80%, and its adsorption property was unaffected by the presence of water vapor. In the case of humidity saturation, the resin displayed a high adsorption capacity at a moisture content of <30%. Therefore, the polymer resin is an excellent water-resistant adsorbent of VOCs. In the regenerative experiment, the resin maintained its original adsorption capability after four adsorption/ desorption cycles of toluene purging with nitrogen gas at 120℃. The resin exhibited excellent regeneration performance at high humidity.
基金supported by the National Natural Science Foundation of China (No. 40505026)the Chinese Academy of Sciences (No. KZCX2-YW-403)
文摘The organic matter in tropospheric aerosol plays an important role in atmospheric physical and chemical processes. The bulk of organic matter, representing a significant proportion of the total suspended particulate (TSP) mass, is bound to polymeric material whose structure and properties are largely unknown. Here we used thermodesorption gas chromatography/mass spectrometry (Td-GC/MS) to study organic compounds of low molecular mass and pyrolysis gas chromatography/mass spectrometry (Py-GC/MS) to characterize the chemical structure of macromolecules in TSP samples collected in different seasons from different sites in Guangzhou. n-Alkanes, fatty acids and nitriles were the predominant compounds in the thermodesorption products, whereas aromatics, fatty acids, nitriles and n-alkanes/alkenes were the major compounds in the pyrolysates. The results indicated that aromatics were main units in macromolecules. The fatty acids and nltriles formed from carboxylic ammonium salts were detected in both thermodesorption products and pyrolysates at a certain concentration, indicating the importance of these compounds in TSP formation. The TSP source mainly determined the occurrence of compounds in samples from urban, suburban and forest sites, whereas the TSP source and formation process maybe controlled the seasonal variation in compounds detected. High levels of nitriles in summer samples from suburban and forest sites coincide with the release of ammonium from the land and of fatty acids from vegetation at these sites.
基金the Natural Science and Engineering Research Council (NSERC) of Canada for funding this study
文摘Enrichment and immobilization of analytes by chemical bonding or physical adsorption is typically the first step in many commonly used analytical techniques. In this paper, we discuss a permeation drag based technique as an alternative approach for carrying out location-specific immobilization of macro- molecular analytes. Fluorescein isothiocyanate (FITC) labeled macromolecules and their complexes were enriched near the surface of ultrafiltration membranes and detected by direct visual observation and fluorescence imaging. The level of macromolecule enrichment at the immobilization sites could be controlled by manipulating the filtration rate and thereby the magnitude of permeation drag. Higher enrichment as indicated by higher fluorescence intensity was observed at higher filtration rates. Also, larger macromolecules were more easily enriched. The feasibility of using this technique for detecting immunocomplexes was demonstrated by carrying out experiments with FITC labeled bovine serum al- bumin (FITC-BSA) and its corresponding antibody. This permeation drag based enrichment technique could potentially be developed further to suit a range of analytical applications involving more sophis- ticated detection methods.
基金The project was supported by the National Natural Science Foundation of China (No.29774016).
文摘Perfluorooctanoyl modified poly(vinyl alcohol)s (FPVA) were prepared by means of substituting a small amount of hydroxyl groups on the backbone of poly(vinyl alcohol), for which the initial degree of polymerization is equal to 1750. The substitution extent, defined by the number of substituting units in a chain, for the four FPVA samples was in the range of 0.5-5 perfluorooctanoyl groups per chain. The FPVA samples with the highest substitution extent still had good solubility in water. It was shown by experimental measurement at 30.0 +/- 0.1 degreesC that the surface tension of the aqueous solution of the highest substituted FPVA decreased to 16.6 mN/m at a higher concentration, e.g. about 0.1 g/mL. Obviously, macromolecules of FPVA exhibit a very strong tendency to adsorb at the air-water interface, because the hydrophobic perfluorooctanoyl groups in FPVA have a very high surface activity as they are in small molecular fluorinated surfactants. The chain conformation of such a model polymer adsorbed on the air-water interface was also discussed.
基金supported in part by the European Commission under the 6th Framework Program (Project: DINAMICS, NMP4-CT-2007-026804).
文摘The paper presents a multi-scale modelling approach for simulating macromolecules in fluid flows. Macromolecule transport at low number densities is frequently encountered in biomedical devices, such as separators, detection and analysis systems. Accurate modelling of this process is challenging due to the wide range of physical scales involved. The continuum approach is not valid for low solute concentrations, but the large timescales of the fluid flow make purely molecular simulations prohibitively expensive. A promising multi-scale modelling strategy is provided by the meta-modelling approach considered in this paper. Meta-models are based on the coupled solution of fluid flow equations and equations of motion for a simplified mechanical model of macromolecules. The approach enables simulation of individual macromolecules at macroscopic time scales. Meta-models often rely on particle-corrector algorithms, which impose length constraints on the mechanical model. Lack of robustness of the particle-corrector algorithm employed can lead to slow convergence and numerical instability. A new FAst Linear COrrector (FALCO) algorithm is introduced in this paper, which significantly improves computational efficiency in comparison with the widely used SHAKE algorithm. Validation of the new particle corrector against a simple analytic solution is performed and improved convergence is demonstrated for ssDNA motion in a lid-driven micro-cavity.
基金Supported by the 100 Persons Project of the Chinese Academy of Sciences, the National Natural Science Foundation of China under Grant No 10474109, the Foundation of Ministry of Personnel of China.
文摘The elasticity of an individual polymer nanoparticle may be greatly different from that of the bulk one. Understanding the properties of individual particles such as elasticity and deformation under external forces is of great importance in controlling the final structures and functions of bulk materials. We study the compression properties of single polyethylenimine (PEI) particles using vibrating scanning polarization force microscopy. By controllably imaging PEI particles at different vibration amplitude set-point values, it is demonstrated that we can compress the single PEI nanoparticle with an atomic force microscopy tip in different loads. Based on the force-height and force-strain curves obtained, Young's moduli of PEI (5-160 MPa) in three force regions are estimated according to the Hertz model The results indicate that PEI has excellent elasticity, which may contribute to its high efficiency as vectors in gene transfection.
文摘A numerical analysis of Newtonian and non-Newtonian flow in an axi-symmetric tube with a local constriction simulating a stenosed artery under steady and pulsatile flow conditions war carried out. Bared on these results, the concentration fields of LDL ( (low-density lipoprotein) and Albumin were discussed. According to the results, in great details the macromolecule transport influences of wall shear stress, non-Newtonian fluid character and the scale of the molecule etc are given. The results of Newtonian fluid flow and non-Newtonian fluid flow, steady flow and pulsatile flow are compared. These investigations can provide much valuable information about the correlation between the flow properties, the macromolecule transport and the development of atherosclerosis.
基金supported by the International Science and Technology Cooperation Key Projects of the Chinese Ministry of Science and Technology(2009DFB30340)National Major Projects of China(2016ZX08010004-004)+2 种基金National Natural Sciences Foundation of China(81373379)Natural Science Foundation of Hubei Province of China(2012FFB07402)Fundamental Research Funds for the Central Universities in China(SouthCentral University for Nationalities,CZY12004).
文摘Functional research on biological macromolecules must fcus on specific loca regions.PDBlocal is aweb-based tool developed to overcome the limitations of traditional molecular visualization tools forthre-dimensional(3D)inspection of local regions.PDBlocal provides an intuitive and easy-to-manipulate web page interface and some new useful functions.It can kep loca regions flashing,display sequence text that is dynamically consistent with the 3D structure in local appearance undermultiple local manipulations,use two scenes to help users inspect the same local region withdifferent statuses,list all historical manipulation statuses with a tree structure,llow users toannotate regions ofinterest,and save ll historical statuses and other data to a web server for futureresearch.PDBlocal has met expectations and shown satisfactory performance for both expert andnovice users.This tool is available at http:/labsystem.scuec.edu.cn/pdblocal/.
基金Supported by the National Natural Science Foundation of China(No. 2 980 40 0 6 ) and the Youth Foundation of Jiangsuprovince(No.BQ980 2 4)
文摘A novel acrylate inimer, 2-(2-chloroacetyloxy) ethyl acrylate, was prepared by the reaction of 2-hydroxyethyl acrylate with chloroacetyl chloride in the presence of triethylamine. The self-condensing vinyl living radical polymerization of the inimer was studied and the hyperbranched macromolecules containing ester linkages on their backbone were prepared. All the polymerization products were characterized by 1H NMR. The polymerization degree and the branching parameter were calculated based on the 1H NMR spectra. It has been shown that this inimer exhibits a very distinctive polymerization behavior. Similar to step-growth polymerization, the polymerization degree of the products formed increased exponentially during the early stage of the polymerization, and then the increasing rate slowed down. However, the inimer remained present throughout the polymerization consistent with conventional free radical polymerization. Also, if much longer polymerization time was used, the polymerization system would become gel due to the crosslinking reaction derived from radical-radical recombination. As a result of the unequal reactivity of -CH2Cl and >CHCl, an almost linear product was obtained at a molar ratio of bipy to inimer=0.05, while a relatively high ratio of bipy to inimer 1 favored the formation of the branched structure. The macromolecules formed at a high ratio of bipy to inimer 1 exhibited an excellent solubility in organic solvents such as acetone.
文摘The idea of application from DNA information organization for providing the next generation super-computers has been proposed by lessons learned from nature. Thus, molecular environment of reserving information was considered as succeeding generation of a mother-board project containing some subcategories with various applications. MERI, constructed based on the binary coding system using DNA synthesizer machine, enables retrievable reading of molecular structures using DNA sequencer machine. It has high capacity for reservation of information about 1.212 × 1011 Kb/cm2 with long-term stability. It can be used in various fields of science and technology regarding its high capacity, small size and safety measures.
文摘Mefenamic acid (MA) is a high-dose, anti-inflammatory, analgesic agent that is widely prescribed for pain related to menstrual disorders. It has some negative properties, such as a high hydrophobicity with a propensity to stick to surfaces, and possess great problems during granulation and tableting. Crystallization kinetics was investigated for mefenamic acid. Availability of data on the kinetics of crystal growth is very important for the development and operation of industrial crystallisation processes. The experiments for the measurement of crystal growth kinetics were carried out using the desupersaturation curve technique based on the measurement of the solution concentration versus time in a seeded isothermal batch experiment. To predict the optimum parameters (b, kb, g, kg) for the nucleation and growth kinetics from the desupersaturation curve obtained, the Population Balance Modelling was used and solved by the method of moments. The initial values for the optimisation problem were estimated by using the approach developed by Garside et al. (1982) [1].
基金supported by National Key R&D Program of China(grant No.2023YFC2410300)National Natural Science Foundation of China(grant No.52130302).
文摘Corrodible metals are the newest kind of biodegradable materials and raise a new problem of the corrosion products.However,the removal of the precipitated products has been unclear and even largely ignored in publications.Herein,we find that albumin,an abundant macromolecule in serum,enhances the solubility of corrosion products of iron in blood mimetic Hank’s solution significantly.This is universal for other main biodegradable metals such as magnesium,zinc and polyester-coated iron.Albumin also influences corrosion rates in diverse trends in Hank’s solution and normal saline.Based on quantitative study theoretically and experimentally,both the effects on corrosion rates and soluble fractions are interpreted by a unified mechanism,and the key factor leading to different corrosion behaviors in corrosion media is the interference of albumin to the Ca/P passivation layer on the metal surface.This work has illustrated that the interactions between metals and media macromolecules should be taken into consideration in the design of the next-generation metal-based biodegradable medical devices in the formulism of precision medicine.The improved Hank’s solution in the presence of albumin and with a higher content of initial calcium salt is suggested to access biodegradable metals potentially for cardiovascular medical devices,where the content of calcium salt is calculated after consideration of chelating of calcium ions by albumin,resulting in the physiological concentration of free calcium ions.
基金the Cerca program/Generalitat de Catalunya,ICREA,MINECO(PID2020-112684GB-100)the Ministerio de Ciencia e Innovacion(Severo Ochoa Excellence Accreditation 2020-2023 CEX2019-000925-S)and AGAUR(2021-SGR-00853)for support.
文摘Carbon dioxide can be converted into functional heterocycles known as cyclic carbonates,whose recent reactivity has been expanded towards the formation of tailor-made engineering polymers.This minireview gives an overview of the most topical developments in this area with a special focus on the synthetic methods employed to prepare these CO_(2)based synthons.In addition,their application potential in the area of polymer science using a variety of polymerization techniques is discussed that have in common the ring-opening of the carbonate monomers.Future perspectives are provided that provide impetus for the scientific communities aligning research to the use of sustainable processes for polymers from recyclable carbon sources such as CO_(2).
基金financially supported by the CAMS Innovation Fund for Medical Sciences(CAMS-2017-12M-1–011,China)National Natural Science Foundation of China(81373342)+1 种基金the Fundamental Research Funds for the Central Universities and PUMC Youth Fund(2017350003,China)PUMC Basic Fund(2018PT35002,China)
文摘In last few years, therapeutic peptides/proteins are rapidly growing in drug market considering their higher efficiency and lower toxicity than chemical drugs. However, the administration of therapeutic peptides/proteins is mainly limited in parenteral approach. Oral therapy which was hampered by harsh gastrointestinal environment and poorly penetrating epithelial barriers often results in low bioavailability(less than 1%–2%). Therefore, delivery systems that are rationally designed to overcome these challenges in gastrointestinal tract and ameliorate the oral bioavailability of therapeutic peptides/proteins are seriously promising. In this review, we summarized various multifunctional delivery systems, including lipid-based particles, polysaccharide-based particles, inorganic particles, and synthetic multifunctional particles that achieved effective oral delivery of therapeutic peptides/proteins.
文摘A model for describing the behavior ot macromoiecuies in aosoroea layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106and chain charged density of 0.254.
文摘An encoding method has a direct effect on the quality and the representationof the discovered knowledge in data mining systems. Biological macromolecules are encoded by stringsof characters, called primary structures. Knowing that data mining systems usually use relationaltables to encode data, we have then to re-encode these strings and transform them into relationaltables. In this paper, we do a comparative study of the existing static encoding methods, that arebased on the Biologist know-how, and our new dynamic encoding one, that is based on the constructionof Discriminant and Minimal Substrings (DMS). Different classification methods are used to do thisstudy. The experimental results show that our dynamic encoding method is more efficient than thestatic ones, to encode biological macromolecules within a data mining perspective.