Using Multiple Calibration Sets to Improve the Quantitative Accuracy of Partial Least Squares (PLS) Regression on Open-Path Fourier Transform Infrared (OP/FT-IR) Spectra of Ammonia over Wide Concentration Ranges

A technique of using multiple calibration sets in partial least squares regression (PLS) was proposed to improve the quantitative determination of ammonia from open-path Fourier transform infrared spectra. The spectra were measured near animal farms, and the path-integrated concentration of ammonia fluctuated from nearly zero to a high of about 1000 ppm-m. The PLS regression using a single calibration set over such a large concentration range had decreased quantitative accuracy due to the nonlinear relationship between concentration and absorbance. In the PLS regression with multiple calibration sets, each calibration set accounted for a smaller concentration range, which significantly decreased the serious nonlinearity problem in PLS regression with a single calibration set. The relative error was reduced from about 6% to below 2%, and the best results were obtained with 4 calibration sets, each covering one quarter of the entire concentration range. It was also found it was possible to build the multiple calibration sets easily and efficiently without extra measurements

Using Multiple Calibration Sets to Improve the Quantitative Accuracy of Partial Least Squares (PLS) Regression on Open-Path Fourier Transform Infrared (OP/FT-IR) Spectra of Ammonia over Wide Concentration Ranges

A technique of using multiple calibration sets in partial least squares regression (PLS) was proposed to improve the quantitative determination of ammonia from open-path Fourier transform infrared spectra. The spectra were measured near animal farms, and the path-integrated concentration of ammonia fluctuated from nearly zero to a high of about 1000 ppm-m. The PLS regression using a single calibration set over such a large concentration range had decreased quantitative accuracy due to the nonlinear relationship between concentration and absorbance. In the PLS regression with multiple calibration sets, each calibration set accounted for a smaller concentration range, which significantly decreased the serious nonlinearity problem in PLS regression with a single calibration set. The relative error was reduced from about 6% to below 2%, and the best results were obtained with 4 calibration sets, each covering one quarter of the entire concentration range. It was also found it was possible to build the multiple calibration sets easily and efficiently without extra measurements

Effective biosynthesis of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural via a bi-enzymatic cascade system using bacterial laccase and fungal alcohol oxidase

Abstract Background As a cost-effective and eco-friendly approach, biocatalysis has great potential for the transformation of 5-hydroxymethylfurfural (HMF) into 2,5-furandicarboxylic acid (FDCA). However, the compatibility of each enzyme in the cascade reaction limits the transformation efficiency of HMF to FDCA. Results Coupled with an alcohol oxidase from Colletotrichum gloeosporioides (CglAlcOx), this study aims to study the potential of bacterial laccase from Bacillus pumilus (BpLac) in an enzymatic cascade for 2,5-furandicarboxylic acid (FDCA) biosynthesis from 5-hydroxymethylfurfural (HMF). BpLac showed 100% selectivity for HMF oxidation and generated 5-hydroxymethyl-2-furancarboxylic acid (HMFCA). CglAlcOx was capable of oxidizing HMFCA to 2-formyl-5-furancarboxylic acid (FFCA). Both BpLac and CglAlcOx could oxidize FFCA to FDCA. At the 5 mM scale, a complete transformation of HMF with a 97.5% yield of FDCA was achieved by coupling BpLac with CglAlcOx in the cascade reaction. The FDCA productivity in the reaction was 5.3 mg/L/h. Notably, BpLac could alleviate the inhibitory effect of FFCA on CglAlcOx activity and boost the transformation efficiency of HMF to FDCA. Moreover, the reaction was scaled up to 40 times the volume, and FDCA titer reached 2.6 mM with a yield of 58.77% at 168 h. Conclusions This work provides a candidate and novel insight for better design of an enzymatic cascade in FDCA production

Characterization of induced struvite formation from source-separated urine using seawater and brine as magnesium sources

Struvite (MgNH4PO4·6H2O) precipitation is widely used for nutrient recovery from source-separated urine in view of limited natural resources. Spontaneous struvite formation depletes the magnesium in hydrolyzed urine so that additional magnesium source is required to produce induced struvite for P-recovery. The present study investigated the morphology and purity of induced struvite crystals obtained from hydrolyzed urine by using seawater and desalination brine as low cost magnesium sources. The results demonstrated that both seawater and brine were effective magnesium sources to recover phosphorus from hydrolyzed urine. Crystals obtained from synthetic and real urine were revealed that the morphology was feather and coffin shape, respectively. Structural characterization of the precipitates confirmed that crystallized struvite was the main product. However, co-precipitates magnesium calcite and calcite were observed when seawater was added into synthetic and real urine, respectively. It was found that the presence of calcium in the magnesium sources could compromise struvite purity. Higher struvite purity could be obtained with higher Mg/Ca ratio in the magnesium source. Comparative analysis indicated that seawater and brine had similar effect on the crystallized struvite purity

Air stripping process for ammonia recovery from source-separated urine : modeling and optimization

BACKGROUND: The air stripping process has been widely used to treat wastewater to prevent undesirable substances from impairing the quality of water sources. This study aimed to investigate the operational and economic aspects of air stripping for ammonia recovery from source separated human urine. RESULTS: The typical two-film model fails to explain the influence of pH on ammonia recovery. For that reason, modifications to the two-film model were applied to involve ammonia dissociation during mass transfer. It was found that increasing pH enhanced ammonia removal efficiency by promoting the free ammonia fraction in the solution. In addition, high air flow rate and temperature accelerated the stripping process due to the increase in mass transfer coefficient. From the economic point of view, unit operating cost was determined for 80% ammonia recovery. Results indicated that increasing air flow rate and temperature could reduce unit operating cost, whereas high pH could induce high unit operating cost due to the increase in chemical input. CONCLUSION: The modified two-film model can precisely estimate the critical values for an economic, efficient stripping process. However, a test-bedding study is required to validate the experimental findings

Determination of urine-derived odorous compounds in a source separation sanitation system

Source separation sanitation systems have attracted more and more attention recently. However, separate urine collection and treatment could induce odor issues, especially in large scale application. In order to avoid such issues, it is necessary to monitor the odor related compounds that might be generated during urine storage. This study investigated the odorous compounds that emitted from source-separated human urine under different hydrolysis conditions. Batch experiments were conducted to investigate the effect of temperature, stale/fresh urine ratio and urine dilution on odor emissions. It was found that ammonia, dimethyl disulfide, allyl methyl sulfide and 4-heptanone were the main odorous compounds generated from human urine, with headspace concentrations hundreds of times higher than their respective odor thresholds. Furthermore, the high temperature accelerated urine hydrolysis and liquid–gas mass transfer, resulting a remarkable increase of odor emissions from the urine solution. The addition of stale urine enhanced urine hydrolysis and expedited odor emissions. On the contrary, diluted urine emitted less odorous compounds ascribed to reduced concentrations of odorant precursors. In addition, this study quantified the odor emissions and revealed the constraints of urine source separation in real-world applications. To address the odor issue, several control strategies are recommended for odor mitigation or elimination from an engineering perspective

Application of hydroponic systems for the treatment of source-separated human urine

Hydroponic systems are widely used for the treatment of nutrient rich wastewaters. In this study, a hydroponic system was applied as the final treatment stage of source-separated human urine after urea hydrolysis, induced-struvite precipitation and ammonia stripping in tropical conditions (Singapore). The results showed that water spinach grew efficiently in the pretreated urine with 1:50 dilution ratio at the growth rate 0.68 cm/d, leaf number 2.27 pieces/d, shoot dry mass 0.33 g, water content 93.86%, and nitrogen and potassium conversion rate 0.46 and 0.51 mg/mg, respectively. This hydroponic system removed 58–66% chemical oxygen demand (COD), 41–49% total nitrogen (TN) and up to 47% total suspended solid (TSS), indicating sufficient urine stream polishing. Nitrification was observed when COD reduced by 60%, possibly because of oxygen competition between nitrobacteria for nitrification and microbes for COD degradation. The kinetic study revealed that zero-order model provided best fitting for COD and ammonia-nitrogen (NH4+-N) removal, while second-order model was more suitable for TN removal.NRF (Natl Research Foundation, S’pore)Accepted versio

Effective biodegradation of chlorophenols, sulfonamides, and their mixtures by bacterial laccase immobilized on chitin

Coexisting multi-pollutants like sulfonamides (SAs) and chlorophenols (CPs) in the ecological environment pose a potential risk to living organisms. The development of a strategy for the effective removal of multiple pollutants has become an urgent need. Herein, we systematically investigated the potential of immobilized bacterial laccase to remove chlorophenols (CPs), sulfonamides (SAs), and their mixtures. Laccase from Bacillus pumilus ZB1 was efficiently immobilized on chitin and its thermal stability, pH stability, and affinity to substrates were improved. Reusability assessment showed the immobilized laccase retained 75.5% of its initial activity after five cycles. The removal efficiency of CPs and SAs by immobilized laccase was significantly improved compared with that of free laccase. In particular, the removal of 2,4-dichlorophenol and 2,4,6-trichlorophenol reached 96.9% and 89.3% respectively within 8 h. The immobilized laccase could remove 63.70% of 2,4-dichlorophenol after four cycles. The degradation pathways of 2,4-dichlorophenol and sulfamethazine were proposed via LC/MS analysis. When the co-pollutants containing 2,4,6-trichlorophenol and sulfamethoxazole, immobilized laccase showed 100% removal of 2,4,6-trichlorophenol and 38.71% removal of sulfamethoxazole simultaneously. Cytotoxicity and phytotoxicity tests indicated that immobilized laccase can alleviate the toxicity of co-pollutants. The results demonstrate that chitin-based laccase immobilization can be an effective strategy for the removal of SAs, CPs, and their co-pollutants

Evaluation of Medicine Effects on the Interaction of Myoglobin and Its Aptamer or Antibody Using Atomic Force Microscopy

The effects of medicine on the biomolecular interaction have been given increasing attention in biochemistry and affinity-based analytics since the environment in vivo is complex especially for the patients. Herein, myoglobin, a biomarker of acute myocardial infarction, was used as a model, and the medicine effects on the interactions of myoglobin/aptamer and myoglobin/antibody were systematically investigated using atomic force microscopy (AFM) for the first time. The results showed that the average binding force and the binding probability of myoglobin/aptamer almost remained unchanged after myoglobin-modified gold substrate was incubated with promazine, amoxicillin, aspirin, and sodium penicillin, respectively. These parameters were changed for myoglobin/antibody after the myoglobin-modified gold substrate was treated with these medicines. For promazine and amoxicillin, they resulted in the change of binding force distribution of myoglobin/antibody (i.e., from unimodal distribution to bimodal distribution) and the increase of binding probability; for aspirin, it only resulted in the change of the binding force distribution, and for sodium penicillin, it resulted in the increase of the average binding force and the binding probability. These results may be attributed to the different interaction modes and binding sites between myoglobin/aptamer and myoglobin/antibody, the different structures between aptamer and antibody, and the effects of medicines on the conformations of myoglobin. These findings could enrich our understanding of medicine effects on the interactions of aptamer and antibody to their target proteins. Moreover, this work will lay a good foundation for better research and extensive applications of biomolecular interaction, especially in the design of biosensors in complex systems