Ensuring the health and safety of drinking water is crucial for both nations and their citizens.Since the 20th century,the disinfection of drinking water,effectively controlling pathogens in water sources,has become o...Ensuring the health and safety of drinking water is crucial for both nations and their citizens.Since the 20th century,the disinfection of drinking water,effectively controlling pathogens in water sources,has become one of the significant advances in public health.However,the disinfectants used in the process,such as chlorine and chlorine dioxide,react with natural organic matter in the water to produce disinfection by-products(DBPs).Most of these DBPs contain chlorine,and if the source water contains bromine or iodine,brominated or iodinated DBPs,collectively referred to as Halogenated disinfection byproducts(X-DBPs),are formed.Numerous studies have found that X-DBPs pose potential risks to human health and the environment,leading to widespread concern.Mass spectrometry has become an important means of discovering new types of X-DBPs.This paper focuses on the study of methods for analyzing X-DBPs in drinking water using mass spectrometry.展开更多
Substituted 2-halomethyl-2,3-dihydrobenzofurans were synthesized in one pot and in mild yield from substituted o-allylphenols with diacetoxyiodobenzene in the presence of 12 or Br2 in dry CH2Cl2 under reflux.
Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic ...Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.展开更多
An analytical model describing the physical relations of a UV-based process for halogenation of polymeric surfaces is presented. The process allows, depending on the parameters, a local halogenation with sharp edges a...An analytical model describing the physical relations of a UV-based process for halogenation of polymeric surfaces is presented. The process allows, depending on the parameters, a local halogenation with sharp edges at the interfaces to areas where no halogenation is desired. This is achieved via a nonreactive halogen-containing gaseous precursor and a UV source providing photons which dissociate the precursor photolytically. Thus, only where the UV photons affect the precursor, halogens are generated and the polymer is being halogenated.展开更多
Li-S batteries have aroused intense interests as one of the most promising high-energy-density storage technology.However,the complex undesired shuttle effect induced by dissolution and diffusion of lithium polysulfid...Li-S batteries have aroused intense interests as one of the most promising high-energy-density storage technology.However,the complex undesired shuttle effect induced by dissolution and diffusion of lithium polysulfide intermediates remains the major setback of this technology.Chemical modification of carbon cathode through heteroatom-doping is widely accepted as an effective method to inhibit the shuttle effect in Li-S battery cathode.Herein,using first principle calculations,we systematically examined the interaction between halogenated graphene and lithium polysulfide species.It is found that the halogen dopants(F,Cl,Br,I)significantly modify the local electronic structure of adsorption site and further induce a polarization to trap the polysulfides.Interestingly,a concave curve is observed from F to I for lithium polysulfide adsorption rather than a linear relation.The exceptions demonstrated from iodine dopant is carefully analyzed and attributed to its unique charge state.Moreover,boron as second dopant further strengthens the interaction between halogenated graphene and polysulfide molecule.Based on halogenation strategy,lithium polysulfide/cathode interactions are tuned in a wide range,which can also be of great importance to accelerate redox reaction in Li-S battery.Overall,an effective method by halogenation is verified to regulate the adsorption of lithium polysulfide and also enhance the reaction kinetics of the Li-S battery system.展开更多
An efficient and greener protocol for the synthesis of 1-halo-naphthols by the action of hydrogen peroxide and alkali metal halides in aqueous micellar media is been described in the present work. This is an environme...An efficient and greener protocol for the synthesis of 1-halo-naphthols by the action of hydrogen peroxide and alkali metal halides in aqueous micellar media is been described in the present work. This is an environmentally clean and safe procedure, which involved insitu generation of the active halogen in presence of alkali halides. Cationic surfactants such as cetyltrimethylammoniumbromide (CTAB) and cetyltrimethylammoniumchloride (CTAC) were found to facilitate efficiency of halogenation in aqueous media.展开更多
The Dexing porphyry deposit is the largest porphyry Cu–Mo–Au deposit in South China.Biotite composition can record the physicochemical conditions and evolution history of magmatic-hydrothermal system.Biotite from th...The Dexing porphyry deposit is the largest porphyry Cu–Mo–Au deposit in South China.Biotite composition can record the physicochemical conditions and evolution history of magmatic-hydrothermal system.Biotite from the Dexing porphyry deposit could be divided to three types:primary magmatic biotite(Bi-M),hydrothermal altered magmatic biotite(Bi-A)and hydrothermal biotite(Bi-H).The temperature of Bi-M and Bi-H range from 719 to 767℃ and 690 to 727℃,respectively.Both magmatic and hydrothermal biotite have high Fe^(3+)/Fe^(2+)ratios(from 0.18 to 0.24)and XMgvalues(from 0.57 to 0.66),indicating a high oxygen fugacity.BiM has F lower than Bi-A and Bi-H(up to 0.26 wt%),but has Cl(Cl=0.18–0.30 wt%)similar to Bi-A and Bi-H(Cl=0.21–0.35 wt%),suggesting that high Cl/F ratios of early hydrothermal fluid may result from the exsolution from high Cl magma.From potassic alteration zone to phyllic and propylitic alteration zones,Cl decreases with increasing Cu,whereas F increases roughly.Therefore,Cl mostly originate from magma,but enrichment of F possibly results from reaction of fluids and Neoproterozoic strata.Negative correlation between Cl and Cu indicates that Cl might act as an important catalyst during Cu mineralization process.Biotite from Dexing has similar halogen compositions to other porphyry Cu-/Mo deposits in the world.Chlorine contents of hydrothermal fluid may be critical for Cu transportation and enrichment,while consumption of Cl would promote Cu deposition.展开更多
123I is the most widely used cyclotron-produced radio-halogen in medical research. In this paper, excitation function formulae for the nuclear reactions of 123I production are introduced. 124Te (p, 2n)123I and 127I (p...123I is the most widely used cyclotron-produced radio-halogen in medical research. In this paper, excitation function formulae for the nuclear reactions of 123I production are introduced. 124Te (p, 2n)123I and 127I (p, 5n)123Xe → 123I nuclear reactions have been studied as a function of the energy of the neutrons. Both two formulae were created using the least squares regression of the experimental cross sections data, which were obtained from the Experimental Nuclear Reaction Data EXFOR Database version of 2023. The proposed formulae were evaluated using two statistical indicators for goodness-of-fit. High agreement was observed between the empirical and experimental results for both nuclear processes.展开更多
文摘Ensuring the health and safety of drinking water is crucial for both nations and their citizens.Since the 20th century,the disinfection of drinking water,effectively controlling pathogens in water sources,has become one of the significant advances in public health.However,the disinfectants used in the process,such as chlorine and chlorine dioxide,react with natural organic matter in the water to produce disinfection by-products(DBPs).Most of these DBPs contain chlorine,and if the source water contains bromine or iodine,brominated or iodinated DBPs,collectively referred to as Halogenated disinfection byproducts(X-DBPs),are formed.Numerous studies have found that X-DBPs pose potential risks to human health and the environment,leading to widespread concern.Mass spectrometry has become an important means of discovering new types of X-DBPs.This paper focuses on the study of methods for analyzing X-DBPs in drinking water using mass spectrometry.
基金We thank the National Science Foundation of China for financial support （No.29472036）.
文摘Substituted 2-halomethyl-2,3-dihydrobenzofurans were synthesized in one pot and in mild yield from substituted o-allylphenols with diacetoxyiodobenzene in the presence of 12 or Br2 in dry CH2Cl2 under reflux.
基金supported by the National Natural Science Foundation of China (No.20872057)
文摘Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.
文摘An analytical model describing the physical relations of a UV-based process for halogenation of polymeric surfaces is presented. The process allows, depending on the parameters, a local halogenation with sharp edges at the interfaces to areas where no halogenation is desired. This is achieved via a nonreactive halogen-containing gaseous precursor and a UV source providing photons which dissociate the precursor photolytically. Thus, only where the UV photons affect the precursor, halogens are generated and the polymer is being halogenated.
基金supported by the NSFC(21573255)the Natural Science Foundation of Liaoning Province(20180510014)+1 种基金supported Joint Research Fund Liaoning Shenyang National Laboratory for Materials Science and the State Key Laboratory of Catalytic Materials and Reaction Engineering(RIPP,SINOPEC)supported by the Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund(the second phase)under Grant no.U1501501。
文摘Li-S batteries have aroused intense interests as one of the most promising high-energy-density storage technology.However,the complex undesired shuttle effect induced by dissolution and diffusion of lithium polysulfide intermediates remains the major setback of this technology.Chemical modification of carbon cathode through heteroatom-doping is widely accepted as an effective method to inhibit the shuttle effect in Li-S battery cathode.Herein,using first principle calculations,we systematically examined the interaction between halogenated graphene and lithium polysulfide species.It is found that the halogen dopants(F,Cl,Br,I)significantly modify the local electronic structure of adsorption site and further induce a polarization to trap the polysulfides.Interestingly,a concave curve is observed from F to I for lithium polysulfide adsorption rather than a linear relation.The exceptions demonstrated from iodine dopant is carefully analyzed and attributed to its unique charge state.Moreover,boron as second dopant further strengthens the interaction between halogenated graphene and polysulfide molecule.Based on halogenation strategy,lithium polysulfide/cathode interactions are tuned in a wide range,which can also be of great importance to accelerate redox reaction in Li-S battery.Overall,an effective method by halogenation is verified to regulate the adsorption of lithium polysulfide and also enhance the reaction kinetics of the Li-S battery system.
文摘An efficient and greener protocol for the synthesis of 1-halo-naphthols by the action of hydrogen peroxide and alkali metal halides in aqueous micellar media is been described in the present work. This is an environmentally clean and safe procedure, which involved insitu generation of the active halogen in presence of alkali halides. Cationic surfactants such as cetyltrimethylammoniumbromide (CTAB) and cetyltrimethylammoniumchloride (CTAC) were found to facilitate efficiency of halogenation in aqueous media.
基金supported by the Chinese National Science Fund for Distinguished Young Scholars to Dr.Gao Jian-Feng(42025301).
文摘The Dexing porphyry deposit is the largest porphyry Cu–Mo–Au deposit in South China.Biotite composition can record the physicochemical conditions and evolution history of magmatic-hydrothermal system.Biotite from the Dexing porphyry deposit could be divided to three types:primary magmatic biotite(Bi-M),hydrothermal altered magmatic biotite(Bi-A)and hydrothermal biotite(Bi-H).The temperature of Bi-M and Bi-H range from 719 to 767℃ and 690 to 727℃,respectively.Both magmatic and hydrothermal biotite have high Fe^(3+)/Fe^(2+)ratios(from 0.18 to 0.24)and XMgvalues(from 0.57 to 0.66),indicating a high oxygen fugacity.BiM has F lower than Bi-A and Bi-H(up to 0.26 wt%),but has Cl(Cl=0.18–0.30 wt%)similar to Bi-A and Bi-H(Cl=0.21–0.35 wt%),suggesting that high Cl/F ratios of early hydrothermal fluid may result from the exsolution from high Cl magma.From potassic alteration zone to phyllic and propylitic alteration zones,Cl decreases with increasing Cu,whereas F increases roughly.Therefore,Cl mostly originate from magma,but enrichment of F possibly results from reaction of fluids and Neoproterozoic strata.Negative correlation between Cl and Cu indicates that Cl might act as an important catalyst during Cu mineralization process.Biotite from Dexing has similar halogen compositions to other porphyry Cu-/Mo deposits in the world.Chlorine contents of hydrothermal fluid may be critical for Cu transportation and enrichment,while consumption of Cl would promote Cu deposition.
文摘123I is the most widely used cyclotron-produced radio-halogen in medical research. In this paper, excitation function formulae for the nuclear reactions of 123I production are introduced. 124Te (p, 2n)123I and 127I (p, 5n)123Xe → 123I nuclear reactions have been studied as a function of the energy of the neutrons. Both two formulae were created using the least squares regression of the experimental cross sections data, which were obtained from the Experimental Nuclear Reaction Data EXFOR Database version of 2023. The proposed formulae were evaluated using two statistical indicators for goodness-of-fit. High agreement was observed between the empirical and experimental results for both nuclear processes.
