Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm co...Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.展开更多
AIM: To determine if Fourier-transform infrared (FT-IR)spectroscopy of endoscopic biopsies could accurately diagnose gastritis and malignancy.METHODS: A total of 123 gastroscopic samples, including 11 cases of cancero...AIM: To determine if Fourier-transform infrared (FT-IR)spectroscopy of endoscopic biopsies could accurately diagnose gastritis and malignancy.METHODS: A total of 123 gastroscopic samples, including 11 cases of cancerous tissues, 63 cases of chronic atrophic gastritis tissues, 47 cases of chronic superficial gastritis tissues and 2 cases of normal tissues, were obtained from the First Hospital of Xi'an Jiaotong University, China. A modified attenuated total reflectance (ATR) accessory was linked to a WQD-500 FT-IR spectrometer for spectral measurement followed by submission of the samples for pathologic analysis. The spectral characteristics for different types of gastroscopic tissues were summarized and correlated with the corresponding pathologic results.RESULTS: Distinct differences were observed in the FTIR spectra of normal, atrophic gastritis, superficial gastritis and malignant gastric tissues. The sensitivity of FT-IR for detection of gastric cancer, chronic atrophic gastritis and superficial gastritis was 90.9%, 82.5%, 91.5%, and specificity was 97.3%, 91.7%, 89.5% respectively.CONCLUSION: FT-IR spectroscopy can distinguish gastric inflammation from malignancy.展开更多
Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to ...Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to as harmful algal blooms (HABs). Characterization of HABs is necessary to reduce risks from human and animal exposures to toxins. Current methods used to classify cyanobacteria and cyanotoxins have limitations related to time, analyst skills, and cost. Fourier-Transform Infrared Spectroscopy (FTIR) is a potential tool for rapid, robust cyanobacterial classification that is not limited by these factors. To examine the practicality of this method, library screening with default software algorithms was performed on HAB samples, followed by principle component cluster analyses and dendrogram analysis of samples meeting minimum quality requirements. Two tested spectrometers and software packages were successful at distinguishing cyanobacteria from green algae. Principle component cluster analysis and dendrogram analysis also resulted in clear differentiation between cyanobacteria and green algae. While these methods cannot be used independently to fully characterize HABs, they show the potential and practicality of FTIR as a screening tool.展开更多
Direct-comb spectroscopy techniques uses optical frequency combs(OFCs)as spectroscopic light source.They deliver high sensitivity,high frequency resolution and precision in a broad spectral range.Due to these features...Direct-comb spectroscopy techniques uses optical frequency combs(OFCs)as spectroscopic light source.They deliver high sensitivity,high frequency resolution and precision in a broad spectral range.Due to these features,the field has burgeoned in recent years.In this work we constructed an OFC-based cavity-enhanced Fourier-transform spectrometer in the nearinfrared region and used it for a line-shape study of rovibrational transitions of CO perturbed by Ar.The highly sensitive measurements spanned the wavenumber range from 6270 cm^-1 to 6410 cm^-1,which covered both P and R branch of the second overtone band of CO.The spectrometer delivers high-resolution surpassing the Fourier-transform resolution limit determined by interferogram length,successfully removing ringing and broadening effects caused by instrumental line shape function.The instrumental-line-shape-free method and high signal-to-noise ratio in the measurement allowed us to observe collisional effects beyond those described by the Voigt profile.We retrieved collisional line-shape parameters by fitting the speed-dependent Voigt profile and found good agreement with the values given by precise cavity ring-down spectroscopy measurements that used a continuous-wave laser referenced to a stabilized OFC.The results demonstrate that OFC-based cavity-enhanced Fouriertransform spectroscopy is a strong tool for accurate line-shape studies that will be crucial for future spectral databases.展开更多
In this study,polyacrylic acid(PAA)films were employed as a model system,and a series of PAA films with tunable water wettability was systematically prepared by varying molecular weight and curing temperature.Using at...In this study,polyacrylic acid(PAA)films were employed as a model system,and a series of PAA films with tunable water wettability was systematically prepared by varying molecular weight and curing temperature.Using attenuated total reflectance Fourier-transform infrared spectroscopy(ATR-FTIR),the molecular configurations of surface carboxyl groups(COOH),free carboxyl(COOH_(f))and hydrogen-bonded carboxyl(COOH_(HB),were directly correlated with the polar component of surface energy(γ^(s,p)).By decomposing theγ^(s,p)values of the PAA thin films as a sum of the contributions of COOH_(f)and COOH_(H B),the intrinsic polar component of surface energy of COOH_(H B)(γ_(H B)^(s,p*))was quantified for the first time as 8.34 mN/m,significantly lower than that of COOH_(f)(γ_(f)^(s,p*)=34 mN/m).This result highlights that hydrogen bonding markedly reduces theγ^(s,p),providing a rational explanation for the relatively large water contact angle observed on PAA thin films.Furthermore,it establishes a thermodynamic basis for estimating the fraction of surface COOH_(H B)groups(f H B)from wettability measurements.Further extension of the model to carboxyl-terminated self-assembled monolayers(COOH-SAMs)revealed that surface COOH density(ΣCOOH)critically regulates wetting behavior:whenΣCOOH ranges from 4.30 to 5.25 nm^(-2),COOH groups predominantly exist in a free state and facilitate effective hydration layers,thereby promoting superhydrophilicity.Overall,this study not only establishes a unified thermodynamic framework linking surface COOH configurations to macroscopic wettability,but also validates its universality by extending it to COOH-SAMs systems,thereby providing a unified theoretical framework for the controllable design of hydrophilicity in various COOH-functionalized surfaces.展开更多
The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide (PLGA) microsphere using synchrot...The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide (PLGA) microsphere using synchrotron radiation based Fourier-transform infrared speciiomlcroscopy (SR-FTIR). The representative infrared wavenumbers specific for protein/peptide (Exenatide) and excipient (PLGA) were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands. For quantitative analysis of the distribution within microspheres, Matlab soft are was used to transform the map file into a 3D matrix and the matiix values specific for the drug and excipient were extracted. Comparison of the normalized SR- FM maps of PLGA and Exenatide indicated that PLGA was unit-on-lily distributed, while Exenatide was relatively non-uniformly distributed in the microspheres. In conclusion, SR-FTIR is a rapid, nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres. (C) 2015 Chinese Pharmaceutical Association and Institute of Materia 'Medico, Chinese Academy of 'Medical Sciences. Production and hosting by Elsevier B.V.展开更多
An optimum design of static Fourier-transform spectrometer based on Savert prisms is presented in this paper. A new method of increasing path difference and resolution of spectrometer is given. When the angle between ...An optimum design of static Fourier-transform spectrometer based on Savert prisms is presented in this paper. A new method of increasing path difference and resolution of spectrometer is given. When the angle between the crystal optical axis of the first Savert prism and the incident interface is 58° and the angle between the crystal optical axis of the second Savert prism and the incident interface is 28°, the maximum path difference will be 0.63 mm, the maximum resolution will be 15.8 cm-1, and the whole field-of-view will reach 6°.展开更多
全波形反演作为一种高分辨率地下成像技术,在实际应用中仍面临低频数据缺失、周期跳跃以及噪声干扰等一系列挑战,因此提出一种基于Fourier近似Wasserstein距离的隐式全波形反演方法。在目标函数层面,利用Wasserstein距离与Fourier系数...全波形反演作为一种高分辨率地下成像技术,在实际应用中仍面临低频数据缺失、周期跳跃以及噪声干扰等一系列挑战,因此提出一种基于Fourier近似Wasserstein距离的隐式全波形反演方法。在目标函数层面,利用Wasserstein距离与Fourier系数之间的有界关系,构建基于Fourier近似的低频增强型目标函数。通过对地震数据中低波数成分进行加权增强,提高模型背景速度的恢复质量,从而有效缓解周期跳跃问题。在模型重参数化层面,引入基于正弦激活函数的神经网络对速度模型进行隐式表征,利用其连续的高维映射特性替代传统的离散网格表示,在提高模型表征自由度的同时为反演过程引入由参数化带来的平滑约束。选取Marmousi、Marmousi2和SEG Salt 3个典型模型,分别在低频缺失、线性初始模型、含噪场景和强散射介质等条件下评估方法的有效性。结果表明,在初始模型较差、低频缺失、噪声干扰和强散射等复杂条件下,所提方法均表现出优异的鲁棒性与收敛性,能够有效克服周期跳跃并显著提升反演精度。展开更多
基金funded by Livestock Improvement Corporation(LIC)the New Zealand Ministry for Primary Industries,through the Sustainable Food&Fibre Futures programme.
文摘Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.
基金Supported by the National Natural Science Foundation of China, No. 30371604 and State Key Project of China, No. 2002CCA01900
文摘AIM: To determine if Fourier-transform infrared (FT-IR)spectroscopy of endoscopic biopsies could accurately diagnose gastritis and malignancy.METHODS: A total of 123 gastroscopic samples, including 11 cases of cancerous tissues, 63 cases of chronic atrophic gastritis tissues, 47 cases of chronic superficial gastritis tissues and 2 cases of normal tissues, were obtained from the First Hospital of Xi'an Jiaotong University, China. A modified attenuated total reflectance (ATR) accessory was linked to a WQD-500 FT-IR spectrometer for spectral measurement followed by submission of the samples for pathologic analysis. The spectral characteristics for different types of gastroscopic tissues were summarized and correlated with the corresponding pathologic results.RESULTS: Distinct differences were observed in the FTIR spectra of normal, atrophic gastritis, superficial gastritis and malignant gastric tissues. The sensitivity of FT-IR for detection of gastric cancer, chronic atrophic gastritis and superficial gastritis was 90.9%, 82.5%, 91.5%, and specificity was 97.3%, 91.7%, 89.5% respectively.CONCLUSION: FT-IR spectroscopy can distinguish gastric inflammation from malignancy.
文摘Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to as harmful algal blooms (HABs). Characterization of HABs is necessary to reduce risks from human and animal exposures to toxins. Current methods used to classify cyanobacteria and cyanotoxins have limitations related to time, analyst skills, and cost. Fourier-Transform Infrared Spectroscopy (FTIR) is a potential tool for rapid, robust cyanobacterial classification that is not limited by these factors. To examine the practicality of this method, library screening with default software algorithms was performed on HAB samples, followed by principle component cluster analyses and dendrogram analysis of samples meeting minimum quality requirements. Two tested spectrometers and software packages were successful at distinguishing cyanobacteria from green algae. Principle component cluster analysis and dendrogram analysis also resulted in clear differentiation between cyanobacteria and green algae. While these methods cannot be used independently to fully characterize HABs, they show the potential and practicality of FTIR as a screening tool.
文摘Direct-comb spectroscopy techniques uses optical frequency combs(OFCs)as spectroscopic light source.They deliver high sensitivity,high frequency resolution and precision in a broad spectral range.Due to these features,the field has burgeoned in recent years.In this work we constructed an OFC-based cavity-enhanced Fourier-transform spectrometer in the nearinfrared region and used it for a line-shape study of rovibrational transitions of CO perturbed by Ar.The highly sensitive measurements spanned the wavenumber range from 6270 cm^-1 to 6410 cm^-1,which covered both P and R branch of the second overtone band of CO.The spectrometer delivers high-resolution surpassing the Fourier-transform resolution limit determined by interferogram length,successfully removing ringing and broadening effects caused by instrumental line shape function.The instrumental-line-shape-free method and high signal-to-noise ratio in the measurement allowed us to observe collisional effects beyond those described by the Voigt profile.We retrieved collisional line-shape parameters by fitting the speed-dependent Voigt profile and found good agreement with the values given by precise cavity ring-down spectroscopy measurements that used a continuous-wave laser referenced to a stabilized OFC.The results demonstrate that OFC-based cavity-enhanced Fouriertransform spectroscopy is a strong tool for accurate line-shape studies that will be crucial for future spectral databases.
文摘In this study,polyacrylic acid(PAA)films were employed as a model system,and a series of PAA films with tunable water wettability was systematically prepared by varying molecular weight and curing temperature.Using attenuated total reflectance Fourier-transform infrared spectroscopy(ATR-FTIR),the molecular configurations of surface carboxyl groups(COOH),free carboxyl(COOH_(f))and hydrogen-bonded carboxyl(COOH_(HB),were directly correlated with the polar component of surface energy(γ^(s,p)).By decomposing theγ^(s,p)values of the PAA thin films as a sum of the contributions of COOH_(f)and COOH_(H B),the intrinsic polar component of surface energy of COOH_(H B)(γ_(H B)^(s,p*))was quantified for the first time as 8.34 mN/m,significantly lower than that of COOH_(f)(γ_(f)^(s,p*)=34 mN/m).This result highlights that hydrogen bonding markedly reduces theγ^(s,p),providing a rational explanation for the relatively large water contact angle observed on PAA thin films.Furthermore,it establishes a thermodynamic basis for estimating the fraction of surface COOH_(H B)groups(f H B)from wettability measurements.Further extension of the model to carboxyl-terminated self-assembled monolayers(COOH-SAMs)revealed that surface COOH density(ΣCOOH)critically regulates wetting behavior:whenΣCOOH ranges from 4.30 to 5.25 nm^(-2),COOH groups predominantly exist in a free state and facilitate effective hydration layers,thereby promoting superhydrophilicity.Overall,this study not only establishes a unified thermodynamic framework linking surface COOH configurations to macroscopic wettability,but also validates its universality by extending it to COOH-SAMs systems,thereby providing a unified theoretical framework for the controllable design of hydrophilicity in various COOH-functionalized surfaces.
基金financial support from the National Natural Science Foundation of China (Nos.81273453 and 81430087)
文摘The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide (PLGA) microsphere using synchrotron radiation based Fourier-transform infrared speciiomlcroscopy (SR-FTIR). The representative infrared wavenumbers specific for protein/peptide (Exenatide) and excipient (PLGA) were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands. For quantitative analysis of the distribution within microspheres, Matlab soft are was used to transform the map file into a 3D matrix and the matiix values specific for the drug and excipient were extracted. Comparison of the normalized SR- FM maps of PLGA and Exenatide indicated that PLGA was unit-on-lily distributed, while Exenatide was relatively non-uniformly distributed in the microspheres. In conclusion, SR-FTIR is a rapid, nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres. (C) 2015 Chinese Pharmaceutical Association and Institute of Materia 'Medico, Chinese Academy of 'Medical Sciences. Production and hosting by Elsevier B.V.
文摘An optimum design of static Fourier-transform spectrometer based on Savert prisms is presented in this paper. A new method of increasing path difference and resolution of spectrometer is given. When the angle between the crystal optical axis of the first Savert prism and the incident interface is 58° and the angle between the crystal optical axis of the second Savert prism and the incident interface is 28°, the maximum path difference will be 0.63 mm, the maximum resolution will be 15.8 cm-1, and the whole field-of-view will reach 6°.
文摘全波形反演作为一种高分辨率地下成像技术,在实际应用中仍面临低频数据缺失、周期跳跃以及噪声干扰等一系列挑战,因此提出一种基于Fourier近似Wasserstein距离的隐式全波形反演方法。在目标函数层面,利用Wasserstein距离与Fourier系数之间的有界关系,构建基于Fourier近似的低频增强型目标函数。通过对地震数据中低波数成分进行加权增强,提高模型背景速度的恢复质量,从而有效缓解周期跳跃问题。在模型重参数化层面,引入基于正弦激活函数的神经网络对速度模型进行隐式表征,利用其连续的高维映射特性替代传统的离散网格表示,在提高模型表征自由度的同时为反演过程引入由参数化带来的平滑约束。选取Marmousi、Marmousi2和SEG Salt 3个典型模型,分别在低频缺失、线性初始模型、含噪场景和强散射介质等条件下评估方法的有效性。结果表明,在初始模型较差、低频缺失、噪声干扰和强散射等复杂条件下,所提方法均表现出优异的鲁棒性与收敛性,能够有效克服周期跳跃并显著提升反演精度。
