This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:or...This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:organochlorine pesticides(OCPs),polycyclic aromatic hydrocarbons(PAHs),polychlorinated biphenyls(PCBs),and phthalates(PAEs)in infant cereal-based supplementary foods.Techniques integrating cryogenic centrifugation and lipid and protein adsorbent(LPAS)purification were employed.The precise mass numbers of target compounds were determined by Orbitrap GC-MS in full-scan mode(Full MS),which effectively minimized matrix interferences in these foods.Method validation on rice flour samples demonstrated that the 70 compounds exhibited excellent linearity within their respective mass concentration ranges,with correlation coefficients all exceeding 0.995.The detection limits for this method ranged 0.10–1.00μg/kg,while the quantification limits varied 0.3–3.0μg/kg,meeting the established detection requirements.The average spike recovery of the 70 compounds at 3 spiked levels(5,20,and 100μg/kg)ranged 75.3%–119.3%,with relative standard deviations ranging 1.8%–10.8%.Both inter-day and intra-day precision demonstrated relative standard deviation values below 15%.This method was applied to analyze 100 samples of commercial infant cereal-based supplementary food,revealing the presence of PAEs and PAHs in 12.0%of the samples.Notably,no OCPs or PCBs were detected.The detected concentrations of benzo[a]pyrene(Ba P)and dibutyl phthalate(DBP)were(4.2±0.1)and(1.8±0.3)μg/kg,respectively.This method is straightforward,highly sensitive,and suitable for the rapid screening and confirmation of 70 organic pollutants in infant cereal-based supplementary foods.展开更多
A near-resonant, red-detuning laser-assisted Stark deceleration scheme is proposed to slow CaF in its high-fieldseeking rovibronic ground state. The assisting Gaussian laser beam can confine CaF molecules transversely...A near-resonant, red-detuning laser-assisted Stark deceleration scheme is proposed to slow CaF in its high-fieldseeking rovibronic ground state. The assisting Gaussian laser beam can confine CaF molecules transversely owing to the optical Stark effect. Simulations suggest that the present scheme is superior to previous Stark decelerators. Under typical experimental conditions, when the assisting laser frequency is red-detuned to the molecular transition(λ～606.3 nm) by5.0 GHz and the laser power is about 5.6 W, the proposed decelerator can achieve a total number at the order of 10~4 CaF molecules with a number density at the order of 10~8 cm^(-3). The equivalent temperature of the obtained cold CaF molecules is 2.3 mK. Additionally, the desired assisting laser power can be as low as about 1.2 W if keeping the red-detuning value to be 1.0 GHz, which further suggests its experimental feasibility.展开更多
Long range intermolecular interaction potential surface of CaF(~2∑^+) was simulated by employing the MOLPRO program and using the RCCSD(T)/def2-TZVP theory. The predicted data were further fitted to obtain the collis...Long range intermolecular interaction potential surface of CaF(~2∑^+) was simulated by employing the MOLPRO program and using the RCCSD(T)/def2-TZVP theory. The predicted data were further fitted to obtain the collision crosssection. The elastic collision cross-section of CaF at the temperature around 2 mK is as high as 6.5 × 10^(-9) cm^2 and the collision rate is over 4.1 × 10~6 Hz. Additionally, we found that an orientation electric field will simplify the intermolecular interaction potential function from quaternary into ternary and the collision cross-section will be raised by about three orders. All-optical evaporative cooling of cold CaF is discussed in the conclusion.展开更多
Investigating correlations between radiomic and genomic profiling in breast cancer(BC)molecular subtypes is crucial for understanding disease mechanisms and providing personalized treatment.We present a well-designed ...Investigating correlations between radiomic and genomic profiling in breast cancer(BC)molecular subtypes is crucial for understanding disease mechanisms and providing personalized treatment.We present a well-designed radiogenomic framework image–gene–gene set(IMAGGS),which detects multi-way associations in BC subtypes by integrating radiomic and genomic features.Our dataset consists of 721 patients,each of whom has 12 ultrasound(US)images captured from different angles and gene mutation data.To better characterize tumor traits,12 multi-angle US images are fused using two distinct strategies.Then,we analyze complex many-to-many associations between phenotypic and genotypic features using a machine learning algorithm,deviating from the prevalent one-to-one relationship pattern observed in previous studies.Key radiomic and genomic features are screened using these associations.In addition,gene set enrichment analysis is performed to investigate the joint effects of gene sets and delve deeper into the biological functions of BC subtypes.We further validate the feasibility of IMAGGS in a glioblastoma multiforme dataset to demonstrate the scalability of IMAGGS across different modalities and diseases.Taken together,IMAGGS provides a comprehensive characterization for diseases by associating imaging,genes,and gene sets,paving the way for biological interpretation of radiomics and development of targeted therapy.展开更多
Hyperfine structures and the field effects of IBr molecule in its rovibronic ground state are theoretically studied by diagonalizing the effective Hamiltonian matrix.Perturbations of high-J levels up to 4 are taken in...Hyperfine structures and the field effects of IBr molecule in its rovibronic ground state are theoretically studied by diagonalizing the effective Hamiltonian matrix.Perturbations of high-J levels up to 4 are taken into account when studying the hyperfine sub-levels of the J=0 level,and thus,an 80×80 matrix is constructed and solved.Some of the experimentally absent molecular constants are computed using Dalton program.Our results will be helpful in the experimental investigation of manipulation and further cooling of cold IBr molecules.展开更多
The mixed-field effect at the hyperfine level of the rovibronic ground state of the^(127)I^(79)Br(X^(1)Σ,v=0,J=0)molecule is computed on the J-I uncoupled basis of|JM_(J)I_(1)M_(1)I_(2)M_(2)>,where J is the molecu...The mixed-field effect at the hyperfine level of the rovibronic ground state of the^(127)I^(79)Br(X^(1)Σ,v=0,J=0)molecule is computed on the J-I uncoupled basis of|JM_(J)I_(1)M_(1)I_(2)M_(2)>,where J is the molecular total angular momentum excluding nuclear spin,M_J is the projection number of J,I_(1) and I_(2) are the nuclear spins of the iodine and bromine atoms,and M_(1) and M_(2) are the projection numbers of I_(1) and I_(2),respectively.When the two applied electric and magnetic fields are parallel,the perturbations are rare and only one perturbation is observed in a relatively large field regime in our computation range.However,when the two fields are off-parallel,the perturbations increase significantly and some sublevels show the Feshbach-like resonance phenomenon.Therefore,such sublevels transit between weak-field seeking and strong-field seeking repeatedly,which can be utilized to enhance or suppress cold molecular collision and chemical reaction rates.Such behavior of the molecular hyperfine structure in the mixed off-parallel fields may also be utilized to construct an electric-field-assisted anti-Helmholtz magnetic trap for cold molecules and to realize evaporative cooling of cold molecules(sub-mK)into the ultracold regime(μK).展开更多
The dephasing of molecular alignment can lead to the deformation of the alignment signal during its periodic revivals.Most studies are concentrated on the first few rotational revival periods of the molecular alignmen...The dephasing of molecular alignment can lead to the deformation of the alignment signal during its periodic revivals.Most studies are concentrated on the first few rotational revival periods of the molecular alignment and neglect the dephasing effect.However,study of the alignment dephasing is still of great significance for both the long-term dynamics of the molecular alignment and the dephasing itself.In this work,we theoretically demonstrate that the dephasing effect is correlated with both the rotational temperature and the rotational revival period of the molecules.The results present that the dephasing is especially significant for those molecules with long rotational revival period at high rotational temperatures.The physics behind it is explored by taking advantage of the coherence of the rotational quantum state population.This work deepens our understanding of rotational dynamics and rotational spectroscopy in molecular alignment.展开更多
Ratiometric probes facilitate quantitative studies via self-calibration and are cherished for bioimaging.Often,a small probe-product spectral separation leads to crosstalk,but the rational development of ratiometric p...Ratiometric probes facilitate quantitative studies via self-calibration and are cherished for bioimaging.Often,a small probe-product spectral separation leads to crosstalk,but the rational development of ratiometric probes with zero probe-product crosstalk remains challenging.Harnessing the recent progress on photophysical modulation of xanthenoid fluorochromes,we propose a powerful and versatile probe design principle,that is,“bridging-group modification,”and developed totalROX,a robust probe for monitoring the total cellular oxidative capacity.展开更多
基金funded by National Key Research and Development Program for Young Scientists of China(2022YFF1102900)Hebei Province High-level Talent Funding Project(C20221009)。
文摘This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:organochlorine pesticides(OCPs),polycyclic aromatic hydrocarbons(PAHs),polychlorinated biphenyls(PCBs),and phthalates(PAEs)in infant cereal-based supplementary foods.Techniques integrating cryogenic centrifugation and lipid and protein adsorbent(LPAS)purification were employed.The precise mass numbers of target compounds were determined by Orbitrap GC-MS in full-scan mode(Full MS),which effectively minimized matrix interferences in these foods.Method validation on rice flour samples demonstrated that the 70 compounds exhibited excellent linearity within their respective mass concentration ranges,with correlation coefficients all exceeding 0.995.The detection limits for this method ranged 0.10–1.00μg/kg,while the quantification limits varied 0.3–3.0μg/kg,meeting the established detection requirements.The average spike recovery of the 70 compounds at 3 spiked levels(5,20,and 100μg/kg)ranged 75.3%–119.3%,with relative standard deviations ranging 1.8%–10.8%.Both inter-day and intra-day precision demonstrated relative standard deviation values below 15%.This method was applied to analyze 100 samples of commercial infant cereal-based supplementary food,revealing the presence of PAEs and PAHs in 12.0%of the samples.Notably,no OCPs or PCBs were detected.The detected concentrations of benzo[a]pyrene(Ba P)and dibutyl phthalate(DBP)were(4.2±0.1)and(1.8±0.3)μg/kg,respectively.This method is straightforward,highly sensitive,and suitable for the rapid screening and confirmation of 70 organic pollutants in infant cereal-based supplementary foods.
基金Project supported by the National Natural Science Foundation of China(Grant No.11604164)
文摘A near-resonant, red-detuning laser-assisted Stark deceleration scheme is proposed to slow CaF in its high-fieldseeking rovibronic ground state. The assisting Gaussian laser beam can confine CaF molecules transversely owing to the optical Stark effect. Simulations suggest that the present scheme is superior to previous Stark decelerators. Under typical experimental conditions, when the assisting laser frequency is red-detuned to the molecular transition(λ～606.3 nm) by5.0 GHz and the laser power is about 5.6 W, the proposed decelerator can achieve a total number at the order of 10~4 CaF molecules with a number density at the order of 10~8 cm^(-3). The equivalent temperature of the obtained cold CaF molecules is 2.3 mK. Additionally, the desired assisting laser power can be as low as about 1.2 W if keeping the red-detuning value to be 1.0 GHz, which further suggests its experimental feasibility.
基金supported by the National Natural Science Foundation of China(Grant Nos.11604164 and U1810129)the Fund for Shanxi "1331 Project" Key Innovation Research Team,China(Grant No.1331KIRT)Excellent Youth Academic Leader in Higher Education of Shanxi Province,China(2018)
文摘Long range intermolecular interaction potential surface of CaF(~2∑^+) was simulated by employing the MOLPRO program and using the RCCSD(T)/def2-TZVP theory. The predicted data were further fitted to obtain the collision crosssection. The elastic collision cross-section of CaF at the temperature around 2 mK is as high as 6.5 × 10^(-9) cm^2 and the collision rate is over 4.1 × 10~6 Hz. Additionally, we found that an orientation electric field will simplify the intermolecular interaction potential function from quaternary into ternary and the collision cross-section will be raised by about three orders. All-optical evaporative cooling of cold CaF is discussed in the conclusion.
基金supported by the National Natural Science Foundation of China(81830058,82071945,91959207,92159301,and 82302212)the Science and Technology Commission of Shanghai Municipality(22ZR1404800)。
文摘Investigating correlations between radiomic and genomic profiling in breast cancer(BC)molecular subtypes is crucial for understanding disease mechanisms and providing personalized treatment.We present a well-designed radiogenomic framework image–gene–gene set(IMAGGS),which detects multi-way associations in BC subtypes by integrating radiomic and genomic features.Our dataset consists of 721 patients,each of whom has 12 ultrasound(US)images captured from different angles and gene mutation data.To better characterize tumor traits,12 multi-angle US images are fused using two distinct strategies.Then,we analyze complex many-to-many associations between phenotypic and genotypic features using a machine learning algorithm,deviating from the prevalent one-to-one relationship pattern observed in previous studies.Key radiomic and genomic features are screened using these associations.In addition,gene set enrichment analysis is performed to investigate the joint effects of gene sets and delve deeper into the biological functions of BC subtypes.We further validate the feasibility of IMAGGS in a glioblastoma multiforme dataset to demonstrate the scalability of IMAGGS across different modalities and diseases.Taken together,IMAGGS provides a comprehensive characterization for diseases by associating imaging,genes,and gene sets,paving the way for biological interpretation of radiomics and development of targeted therapy.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12004199,U1810129,52076145,and 11904252).
文摘Hyperfine structures and the field effects of IBr molecule in its rovibronic ground state are theoretically studied by diagonalizing the effective Hamiltonian matrix.Perturbations of high-J levels up to 4 are taken into account when studying the hyperfine sub-levels of the J=0 level,and thus,an 80×80 matrix is constructed and solved.Some of the experimentally absent molecular constants are computed using Dalton program.Our results will be helpful in the experimental investigation of manipulation and further cooling of cold IBr molecules.
基金Project supported by the National Natural Science Foundation of China (Grant No.12004199)。
文摘The mixed-field effect at the hyperfine level of the rovibronic ground state of the^(127)I^(79)Br(X^(1)Σ,v=0,J=0)molecule is computed on the J-I uncoupled basis of|JM_(J)I_(1)M_(1)I_(2)M_(2)>,where J is the molecular total angular momentum excluding nuclear spin,M_J is the projection number of J,I_(1) and I_(2) are the nuclear spins of the iodine and bromine atoms,and M_(1) and M_(2) are the projection numbers of I_(1) and I_(2),respectively.When the two applied electric and magnetic fields are parallel,the perturbations are rare and only one perturbation is observed in a relatively large field regime in our computation range.However,when the two fields are off-parallel,the perturbations increase significantly and some sublevels show the Feshbach-like resonance phenomenon.Therefore,such sublevels transit between weak-field seeking and strong-field seeking repeatedly,which can be utilized to enhance or suppress cold molecular collision and chemical reaction rates.Such behavior of the molecular hyperfine structure in the mixed off-parallel fields may also be utilized to construct an electric-field-assisted anti-Helmholtz magnetic trap for cold molecules and to realize evaporative cooling of cold molecules(sub-mK)into the ultracold regime(μK).
基金supported by the National Natural Science Foundation of China(No.12004199).
文摘The dephasing of molecular alignment can lead to the deformation of the alignment signal during its periodic revivals.Most studies are concentrated on the first few rotational revival periods of the molecular alignment and neglect the dephasing effect.However,study of the alignment dephasing is still of great significance for both the long-term dynamics of the molecular alignment and the dephasing itself.In this work,we theoretically demonstrate that the dephasing effect is correlated with both the rotational temperature and the rotational revival period of the molecules.The results present that the dephasing is especially significant for those molecules with long rotational revival period at high rotational temperatures.The physics behind it is explored by taking advantage of the coherence of the rotational quantum state population.This work deepens our understanding of rotational dynamics and rotational spectroscopy in molecular alignment.
基金supported by the National Natural Science Foundation of China(nos.21822805,21908065,31871430,81802979,818800585,and 8180032537)Young Medical Talents Training Program of Shanghai(2018)+3 种基金the Commission of Science and Technology of Shanghai Municipality(no.18430711000)the Australian National Health and Medical Research Council(nos.APP1126091 and APP1125794)the Science and Technology Commission of Shanghai Municipality for the Shanghai International Cooperation Program(18430711000)the China Postdoctoral Science Foundation(nos.2019M651427 and 2020T130197),W.Yang acknowledges the financial support of the innovative research team of high-level local universities in Shanghai.
文摘Ratiometric probes facilitate quantitative studies via self-calibration and are cherished for bioimaging.Often,a small probe-product spectral separation leads to crosstalk,but the rational development of ratiometric probes with zero probe-product crosstalk remains challenging.Harnessing the recent progress on photophysical modulation of xanthenoid fluorochromes,we propose a powerful and versatile probe design principle,that is,“bridging-group modification,”and developed totalROX,a robust probe for monitoring the total cellular oxidative capacity.
