Big data-driven water research towards metaverse

Although big data is publicly available on water quality parameters,virtual simulation has not yet been adequately adapted in environmental chemistry research.Digital twin is different from conventional geospatial modeling approaches and is particularly useful when systematic laboratory/field experiment is not realistic(e.g.,climate impact and water-related environmental catastrophe)or difficult to design and monitor in a real time(e.g.,pollutant and nutrient cycles in estuaries,soils,and sediments).Data-driven water research could realize early warning and disaster readiness simulations for diverse environmental scenarios,including drinking water contamination.

Phosphatase Hydrolysis of Organic Phosphorus Compounds

Phosphatases are diverse groups of enzymes that deserve special attention because of their significant roles in organic phosphorus (OP) mineralization to inorganic available forms (Pi). This work 1) compared the catalytic potentials of commercially acid phosphatase from wheat germ, sweet potato, and potato, and alkaline phosphatase from E. coli;2) demonstrated that the rate of hydrolysis, catalytic efficiency, thermal stability, and optimal pH of these enzymes depended on enzyme sources and the stereochemical or stereoisomeric structures of the substrates;3) revealed that both acid and alkaline phosphatases exhibited broad range of substrate hydrolysis with high affinity for p-nitrophenyl phosphate bis (cyclohexylammonium) than the widely used p-nitrophenyl phosphate disodium hexahydrate for phosphatase assay. Sweet potato had relatively higher reaction kinetics (Vmax, Km, Kcat, Kcat/Km) values with most substrates tested. The order of catalytic activity was in the order: sweet potato > wheat germ > potato, while the order of substrate hydrolyzed was: PNPBC > PNP > PNP2A2E > DG6P2Na > DG6PNa > Bis-PNP > phytate. The optimum pH for the acid phosphatase was observed to be 5.0. Generally, the activity of alkaline phosphatase was similar to that of acid phosphatase with optimal pH between 10 and 13, depending on the substrates. Knowledge derived from this work would be helpful in enzyme catalysis in soils and water environments.

Impact of Management Practices on Water Extractable Organic Carbon and Nitrogen from 12-Year Poultry Litter Amended Soils

Water extractable organic carbon (WEOC) and nitrogen (WEON) are two key parameters of soil water extractable organic matter (WEOM). Proper management of manure application rate in combination with tillage and cropping management could maintain appropriate WEOC and WEON concentrations in soils while decreasing the risk of their runoff from cropland and pastures. The objective of this research was to determine the effect of poultry litter (PL) application on WEOC and WEON in soils under different crops, tillage regimes, and grazing strategies. From 2001 to 2012, PL was applied at multiple rates to cultivated fields in a corn-oat/wheat-hay rotation or to pastures grazed by cattle or ungrazed. Soil samples (0 - 15 cm) were analyzed for KCl-extractable mineral N, and WEOC, and WEON contents. In addition, Ultraviolet-visible (UV-vis) and fluorescence spectroscopies were used to characterize WEOC stability. Organic N levels were higher at the high PL application rates. The soil C:N ratio narrowed as the PL application rate increased. However, the soil from pastures which received PL tended to have a wider range of C:N ratios than soil from the cultivated fields, despite identical PL application rates. The spectral analyses indicated that WEOC properties were responsive to management and PL application rate;therefore, this parameter may be used as a guide to provide best management strategy for manure application.

Feasibility assessment of phenotyping cotton fiber maturity using infrared spectroscopy and algorithms for genotyping analyses

Background:Cotton fiber maturity is an important property that partially determines the processing and performance of cotton.Due to difficulties of obtaining fiber maturity values accurately from every plant of a genetic population,cotton geneticists often use micronaire(MIC) and/or lint percentage for classifying immature phenotypes from mature fiber phenotyp es although they are complex fiber traits.The recent development of an algorithm for determining cotton fiber maturity(MIR)from Fourier transform infrared(FT-IR)spectra explores a novel way to measure fiber maturity efficiently and accurately.However,the algorithm has not been tested with a genetic population consisting of a large number of progeny pla,nts.Results:The merits and limits of the MIC-or lint percentage-bas ed phenotyping method were demonstrated by comparing the observed phenotypes with the predicted phenotypes based on their DNA marker genotypes in a genetic population consisting of 708 F2 plants with various fiber maturity.The observed MIC-based fiber phenotypes matched to the predicted phenotypes better than the observed lint percenta ge-based fiber phenotypes.The lint percentage was obtained from each of F2 plants,whereas the MIC values were unable to be obtained from the entire population since certain F2 plants produced insufficient fiber mass for their measurements.To test the feasibiility of cotton fiber infrared maturity(MIR)as a viable phenotyping tool for genetic analyses,we me asured FT-IR spectra from the second population composed of 80 F2 plants with various fiber maturities,determined MIR values using the algorithms,and compared them with their genotypes in addition to other fiber phenotypes.The results showed that MIR values were successfully obtained from each of the F2 plants,and the observed MIR-based phenotypes fit well to the predicted phenotypes based on their DNA marker genotypes as well as the observed phenotypes based on a combination of MIC and lint percentage.Conclusions:The M,R value obtained from FT-IR spectra of cotton fibers is able to accurately assess fiber maturity of all plants of a population in a quantitative way.The technique provides an option for cotton geneticists to determine fiber maturity rapidly and efficiently.

Differences in Modified Morgan Phosphorus Levels Determined by Colorimetric and Inductively Coupled Plasma Methods

Phosphorus (P) fertilization is frequently needed for profitable crop production. Modified Morgan P (MMP) is a soil test P used to estimate plant available P in soils. The critical values of MMP for P fertilization and maintenance recommendations are based on the P concentrations measured by a common colorimetric molybdenum blue method although other P quantification methods have also been used for MMP measurements. In this study, we collected 120 surface soil samples of Caribou Sandy loam under potato cultivation or its rotation crops from Maine, USA, and 72 soil samples of Cecil sandy loam with cotton/corn crops under conventional tillage and no-till management with chemical and poultry litter fertilization in Georgia, USA. The MMP levels in all 192 dry samples were greater when they were measured by an inductively coupled plasma (ICP)-based method, compared to the corresponding data produced from colorimetry. Our results show the two sets of data were positively and significantly correlated (r = 0.93, P –1 with standard deviation of 12.9, compared to the average of colorimetric MMP level of 14.9 mg P kg–1 with standard deviation of 8.8. Based on the observations in this work, both colorimetric and ICP-based methods can be used for P fertilizer recommendation, but a conversion factor should be applied for ICP data as the current recommendation systems are based on colorimetric M&R data.

Comparison of Stem Damage and Carbohydrate Composition in the Stem Juice between Sugarcane and Sweet Sorghum Harvested before and after Late Fall Frost

A late fall frost may significantly affect sugar crops’ stem sugar composition, yield and juice quality for biofuel and bioproduct manufacture. Research on the effects of late fall frost in sugarcane is well documented, but information is lacking for sweet sorghum. Three and six commercial cultivars of sugarcane and sweet sorghum, respectively, were selected and evaluated for exposure to a late fall frost (-2.8&degC) in Griffin, Georgia, USA. Under the same controlled environmental conditions in a screen house, the late fall frost induced more damage to sugarcane than sweet sorghum stems. The frost caused damage to sugarcane tissue and for juice to exude from stems, whereas similar behavior was not observed for sweet sorghum. In both sugarcane and sweet sorghum, the glucose/fructose ratio was significantly reduced, but this change may not be totally directly related to the frost effect. Overall, these initial results suggest that sweet sorghum may have a better tolerance to fall frost than sugarcane. Two sweet sorghum cultivars, Grassl and M81E, responded well to the late fall frost, and they can possibly be used as feedstocks for biofuel/bioproduct manufacture in areas susceptible to frosts including northern regions of the Southeastern US.

Applied and Environmental Chemistry of Animal Manure:A Review

Animal manure consists of predominantly urine and feces,but also may contain bedding materials,dropped feed,scurf,and other farming wastes.Manure is typically applied to soils as fertilizer for agricultural production.The estimated amount of manure produced in 12 major livestock-producing countries is 9 × 109 Mg of manure annually.Manure is rich in plant nutrients.However,manure is also considered as an environmental pollutant when it is over-applied to cropland or following runoff into surface water.Manure can also in?uence global climate change via emissions of methane（CH4） and nitrous oxide（N2O）.Thus,increased and updated knowledge of applied and environmental chemistry of animal manure is needed to shed light on the research and development of animal manure utilization and minimization of its adverse environmental concerns.The advances in basic and applied studies of manure major components,organic matter,phosphorus,and nitrogen,primarily related to US livestock production are summarized in this review.Detailed focus was placed on three notable challenges for future manure research:1) soil application of animal manure,2)manure phytate phosphorus,and 3) manure nitrogen availability.This review may contribute to the global effort in sustainable and environmentally sound agriculture by stimulating new ideas and directions in animal manure research,and promoting application of knowledge and insight derived from manure research into improved manure management strategies.

Analysis of Carbon Functional Groups in Mobile Humic Acid and Recalcitrant Calcium Humate Extracted from Eight US Soils

Solid state13C nuclear magnetic resonance(NMR)spectroscopy is a common tool to study the structure of soil humic fractions;however,knowledge regarding carbon structural relationships in humic fractions is limited.In this study,mobile humic acid(MHA)and recalcitrant calcium humate(CaHA)fractions were extracted from eight soils collected from six US states and representing a variety of soils and ecoregions,characterized by this spectroscopic technique and analyzed for statistical significance at P≤0.05.We found that the abundances of COO and N–C=O functional groups in the MHA fractions were negatively correlated to soil sand content,but were positively correlated to silt,total N and soil organic carbon contents.In contrast,the abundances of the COO and N–C=O functional groups were only positively correlated to the content of clay in the CaHA fractions,indicating that the two humic fractions were associated with diferent soil components.The two13C NMR peaks representing alkyls and OCH3/NCH were negatively correlated to the peaks representing aromatics,aromatic C–O and N–C=O/COO.Comparison of the sets of data from13C NMR spectroscopy and ultrahigh resolution mass spectrometry revealed that the aromatic components identified by the two methods were highly consistent.The comparison further revealed that protein in MHA was associated with,or bound to,the nonpolar alkyl groups,but a component competitively against(or complementary to)aromatic groups in the MHA composition.These observations provided insight on the internal correlations of the functional groups of soil humic fractions.

Three decades of changes in water environment of a large freshwater Lake and its relationship with socio-economic indicators

Tai Lake(Ch: Taihu) has attracted international attention forcyanobacteria blooms.However, the drivers of cultural eutrophication, especially long-term socio-economic indicators have been little researched. The results of research demonstrate how socioeconomic development affected quality of water and how it has been improved by anthropogenic activities. This study described variability in indicators of water quality in Tai Lakeand investigated thedrivers. Significant relationships existed between concentrations of annual mean total nitrogen(TN), total phosphorous(TP), chemical oxygen demand(COD) and biological oxygen demand(BOD), and population, per capital gross domestic production(GDP) and sewage discharge(p < 0.05). However, mechanisms causing change varied among TN, TP, COD and BOD. Before 2000, the main contributors to increases in concentrations of TN were human population, GDP and volumes of domestic sewage discharges. After 2000, discharges of industrial sewage become the primary contributor. After 1998, the regressions of annual mean TN, TP and COD on per capital GDP, population and domestic sewage discharge were reversed compared to the former period. Since 1999, an apparent inverted U-shaped relationship between environmental pollution and economic development has developed, which indicated that actions taken by governments have markedly improved quality of water in Tai Lake. The statistical relationship between BOD and per capital GDP didn't conform to the Kuznet curve. The Ushaped Kuznet curve may offer hope for the future that with significant environmental investments a high GDP can be reached and maintained without degradation of the environment, especially through appropriate management of industrial sewage discharge.

Amino Compounds in Poultry Litter,Litter-Amended Pasture Soils and Grass Shoots

Amino compounds(ACs),i.e.,amino acids and amino sugars,are the major forms of organic nitrogen(N)in animal manure and soil.To increase our understanding on the effect of long-term poultry litter(PL)application on soil AC pools and turnover,in this study,we determined the contents of 21 ACs in 23 PL samples,15 soil samples collected from 0–20,20–40,and 40–60 cm layers of five pasture plots with 0,5,10,15 and 20 years of PL applications,and 5 grass shoot samples grown on these pasture fields.The contents of 21 ACs were simultaneously determined by methanesulfonic acid hydrolysis/extraction and anion chromatography-pulsed amperometry.PL application increased soil total and individual AC contents with a distribution pattern similar to that of AC in PL.The highest AC-N concentrations were observed in the soils with 10-or 15-year PL applications,inconsistent with the order of annual application rates or cumulative applied PL amounts.Application of PL increased the AC contents in grass shoots whereby the highest increase of most ACs was with the shoots from the fields that received PL for 5 years.These observations suggested that both freshly applied and residual PL had contributions to the soil AC-N,and that PL application also accelerated AC-N transformation in soil.

Solid-State 13C Nuclear Magnetic Resonance Spectroscopic Characterization of Soil Organic Matter Fractions in a Forest Ecosystem Subjected to Prescribed Burning and Thinning

Forest management practices such as prescribed burning and thinning in forest ecosystems may alter the properties of soil organic matter(SOM). In this study, surface soils from field plots in the Bankhead National Forest, Alabama, USA, were used to investigate possible SOM transformations induced by thinning and burning. Elemental analysis and solid-state ^(13)C cross polarization magic angle spinning nuclear magnetic resonance(^(13)C CPMAS NMR) spectroscopy were used to characterize SOM fractions in whole soils, humic substances, and density fractions. Our data revealed that the changes in SOM fractions due to the repeated burning carried out in the forest ecosystem studied were involved mainly with alkyl C, O-alkyl C, and carbohydrate functional groups, implying that most prominent reactions that occurred involved dehydrogenation, de-oxygenation, and decarboxylation. In addition, burning and thinning might have also affected the distribution and composition of free and occluded particulate SOM fractions. The limited structural changes in SOM fractions suggested that low-intensity prescribed fire in the forest ecosystem studied will not create major structural changes in SOM fractions.