Miracle-dz/UniFAR-FTUs huggingface dataset:
Chemical Composition and Source Contribution of Particulate Matter Emitted During Injection of Biosolids into an Agricultural Field in Ohio, USA

This article focuses on quantification of the chemical composition of particulate matter (PM) emitted during the injection of biosolids on a farm field near Toledo, Ohio. In the summer of 2009, field sampling was done during the three stages of the biosolids application. The collected filter papers were analyzed to identify the elemental composition. Chemical composition of the PM was determined using ICP‐OES. The receptor modeling using the positive matrix factorization (PMF) was used to identify and characterize the source profiles contributing to the emissions. The chemical analysis showed that the biosolids application enriched the concentration of macronutrients and micronutrients that were essential for growth of vegetation. Industrial source, dust/soil, biosolids, and ambient/background were the sources identified using the PMF modeling. The contribution of each source to the elemental concentration was also determined. The biosolids source contributed significantly to the emissions of aluminum (85%), cadmium (59%), chromium (96%), nickel (45%), lead (49%), and silicon (62%). In the future, the biosolids source profile derived in this study will be helpful when applying these findings in related work. © 2013 American Institute of Chemical Engineers Environ Prog, 32: 1234–1239, 2013
Kerr electro-optic field mapping and charge dynamics in impurity-doped transformer oil

We measured dc electric field distribution in transformer oil mixed with different impurities and additives so as to simulate practical degradation conditions of transformer oil. The electric field in the oil doped with asphalt was reduced near the cathode and enhanced near the anode. On the other hand, electric field in oil with copper oleate was enhanced near both electrodes and reduced at the center between the electrodes. The space charge density was estimated from the measured electric field profile using a 1-dimensional form of Gauss law; negative ions occurred more than positive ions by 5 to 40 pC/cm/sup 3/ in the oil with asphalt from 10 to 30 ppm. It was also found that heterocharges with 100 to 300 pC/cm/sup 3/ existed near both electrodes in the oil with copper oleate. Consequently, the electric field and the charge distribution in the oil proved to change depending on the kind and content of impurities or additives and thus depending on the degradation of the oil.
Spin Distribution in Dehydrogenated Coniferyl Alcohol and Associated Dilignol Radicals

Quantum chemical methods have been used to provide a better understanding of the photochemistry of astaxanthin and phytochromobilin; the photoenzymic repair of UV-light induced DNA damages; and the formation of lignin. The carotenoid astaxanthin (AXT) is responsible for the colouration of lobster shell. In solution, the electronic absorption spectra of AXT peak in the 470-490 nm region, corresponding to an orange-red colouration. Upon binding to the lobster-shell protein-complex α-crustacyanin, the absorption maximum is shifted to 632 nm, yielding a slate-blue colouration. Herein, the structural origin of this bathochromic shift is investigated on the basis of recent experimental work.The tetrapyrrole phytochromobilin (PΦB) underlies the photoactivation of the plant photoreceptor phytochrome. Upon absorption of 660-nm light, PΦB isomerizes from a C15-Z,syn configuration (in the inactive form of the protein) to C15-E,anti (in the active form). In this work, a reaction mechanism for this isomerization is proposed. DNA photolyases are enzymes that repair DNA damages resulting from far-UV-light induced [2+2] cycloaddition reactions involving pyrimidine nucleobases. The catalytic activity of these enzymes is initiated by near-UV and visible light, and is governed by electron transfer processes between a catalytic cofactor of the enzyme and the DNA lesions. Herein, an explanation for the experimental observation that the repair of cyclobutane pyrimidine dimers (CPD) – the major type of lesion – proceeds by electron transfer from the enzyme to the dimer is presented. Furthermore, the formation of CPD is studied.Lignin is formed by dehydrogenative polymerization of hydroxycinnamyl alcohols. A detailed understanding of the polymerization mechanism and the factors controlling the outcome of the polymerization is, however, largely missing. Quantum chemical calculations on the initial dimerization step have been performed in order to gain some insight into these issues.
Applications of time-resolved synchrotron X-ray diffraction to cation exchange, crystal growth and biomineralization reactions

Abstract Advances in the design of environmental reaction cells and in the collection of X-ray diffraction data are transforming our ability to study mineral-fluid interactions. The resulting increase in time resolution now allows for the determination of rate laws for mineral reactions that are coupled to atomic-scale changes in crystal structure. Here we address the extension of time-resolved synchrotron diffraction techniques to four areas of critical importance to the cycling of metals in soils: (1) cation exchange; (2) biomineralization; (3) stable isotope fractionation during redox reactions; and (4) nucleation and growth of nanoscale oxyhydroxides.
Effect of filling method on the packing distribution of a catalyst bed

The bulk density of a catalyst bed in two-dimensional reactor model has been measured by a radiogauging method. Three ways of introducing the catalyst were used. Attention was paid to bulk density near the wall and the bottom of the model. A homogeneous distribution of the catalyst was obtained in the case of the “rainy” (uniform) filling method using a grid distributor.
Microbial community structure and residue chemistry during decomposition of shoots and roots of young and mature wheat (Triticum aestivum L.) in sand

There is limited understanding of the relationship between carbon (C) chemistry and microbial community structure during decomposition of shoot and root residues and how plant age affects this. In this study, residues of young wheat shoots and roots, mature wheat shoots and roots or a 1:1 mix of mature shoot + root (MSR) were added to sand inoculated with a diverse microbial community. Respiration was measured over 60 days. On days 0, 15, 30 and 60, total C and nitrogen were measured, residue C chemistry was determined by 13C‐NMR (nuclear magnetic resonance) spectroscopy and microbial community structure was assessed by phospholipid fatty acid (PLFA) analyses. Cumulative respiration was least in young roots and did not differ among the other residue types. In MSR, decomposition was similar to that of shoots and roots alone; shoot material appeared to be preferentially decomposed. The decomposition rate of all residues combined was not related to C chemistry. However, mineralized C (Cmin) was negatively correlated with the percentage of (aryl + O‐aryl)‐C in mature but not in young residues. Mineralized C of roots was positively correlated with the percentage of (di‐O‐alkyl + O‐alkyl)‐C, whereas this was not the case for shoots. Microbial community structure was influenced by time, plant organ and plant age. There was no general relationship between microbial community structure and C chemistry of the residues.
Consumption of High-Fructose Corn Syrup Compared with Sucrose Promotes Adiposity and Increased Triglyceridemia but Comparable NAFLD Severity in Juvenile Iberian Pigs.

BACKGROUND Fructose consumption has been linked to nonalcoholic fatty liver disease (NAFLD) in children. However, the effect of high-fructose corn syrup (HFCS) compared with sucrose in pediatric NAFLD has not been investigated. OBJECTIVES We tested whether the isocaloric substitution of dietary sucrose by HFCS would increase the severity of NAFLD in juvenile pigs, and whether this effect would be associated with changes in gut histology, SCFA production, and microbial diversity. METHODS Iberian pigs, 53-d-old and pair-housed in pens balanced for weight and sex, were randomly assigned to receive a mash diet top-dressed with increasing amounts of sucrose (SUC; n = 3 pens; 281.6-486.8 g/kg diet) or HFCS (n = 4; 444.3-724.8 g/kg diet) during 16 wk. Diets exceeded the animal's energy requirements by providing sugars in excess, but met the requirements for all other nutrients. Animals were killed at 165 d of age after blood sampling, and liver, muscle, and gut were collected for histology, metabolome, and microbiome analyses. Data were analyzed by multivariate and univariate statistics. RESULTS Compared with SUC, HFCS increased subcutaneous fat, triacylglycerides in plasma, and butyrate in colon (P ≤ 0.05). In addition, HFCS decreased UMP and short-chain acyl carnitines in liver, and urea nitrogen and creatinine in serum (P ≤ 0.05). Microbiome analysis showed a 24.8% average dissimilarity between HFCS and SUC associated with changes in SCFA-producing bacteria. Body weight gain, intramuscular fat, histological and serum markers of liver injury, and circulating hormones, glucose, and proinflammatory cytokines did not differ between diets. CONCLUSIONS Fructose consumption derived from HFCS promoted butyrate synthesis, triglyceridemia, and subcutaneous lipid deposition in juvenile Iberian pigs, but did not increase serum and histological markers of NAFLD compared with a sucrose-enriched diet. Longer studies could be needed to observe differences in liver injury among sugar types.
Microneedle-assisted genome editing: A transdermal strategy of targeting NLRP3 by CRISPR-Cas9 for synergistic therapy of inflammatory skin disorders

Transdermal delivery of genome-editing agents by microneedle promotes the glucocorticoid therapy of inflammatory skin disorders. We report a dissolvable microneedle (MN) patch that can mediate transdermal codelivery of CRISPR-Cas9–based genome-editing agents and glucocorticoids for the effective treatment of inflammatory skin disorders (ISDs). The MN is loaded with polymer-encapsulated Cas9 ribonucleoprotein (RNP) targeting NLRP3 and dexamethasone (Dex)–containing polymeric nanoparticles. Upon insertion into the skin, the MN can be dissolved quickly to release two types of nanoformulations, which are subsequently internalized by keratinocytes and surrounding immune cells to exert their therapeutic effects in the inflammatory subcutaneous layers. Thus, the MN-enabled transdermal codelivery of Cas9 RNP nanocomplexes and Dex nanoparticles result in the disruption of subcutaneous intracellular NLRP3 inflammasomes, which is demonstrated to be critical to alleviate skin inflammations and contributes to glucocorticoid therapy in mouse models of ISDs, including psoriasis and atopic dermatitis. Our study offers innovative insights into the rational design of transdermal delivery systems and defines an effective therapeutic option for the treatment of ISDs.
Optimization of LC-DRC-ICP-MS for the speciation of selenotrisulfides with simultaneous detection of sulfur and selenium as oxides combined with determination of elemental and isotope ratios

A LC-DRC-ICP-MS method for the simultaneous detection of selenium and sulfur in the selenotrisulfides selenocysteineglutathione (Cys-Se-SG) and selenodiglutathione (GS-Se-SG) is described. Both sulfur and selenium are reacted with oxygen in the dynamic reaction cell (DRC) and detected as oxides. The selenotrisulfides were separated applying a 30 min gradient liquid chromatographic (LC) method with a formic acid/methanol eluent. The detection limits for sulfur (as 32S16O+) and selenium (as 80Se16O+) in the chromatographic system were 4.0 and 0.2 μg L−1 (100 and 5 ng in absolute mass units), respectively. S/Se elemental ratios in the 1.9–2.1 range, close to the theoretical value of 2.0, was found for both selenotrisulfides along with accurate (<2.5% deviation) and precise (∼1% RSD) sulfur and selenium isotope ratios. This emphasises the potential of the developed method for the speciation of sulfur and/or selenium compounds combined with measurement of elemental and isotope ratios in the characterisation and quantification of biomolecules and drug metabolites.
Biomimetic Silk Fibroin Hydrogels Strengthened by Silica Nanoparticles Distributed Nanofibers Facilitate Bone Repair

Various materials are utilized as artificial substitutes for bone repair. In this study, a silk fibroin (SF) hydrogel reinforced by short silica nanoparticles (SiNPs)‐distributed‐silk fibroin nanofibers (SiNPs@NFs), which exhibits a superior osteoinductive property, is fabricated for treating bone defects. SF acts as the base part of the composite scaffold to mimic the extracellular matrix (ECM), which is the organic component of a native bone. The distribution of SiNPs clusters within the composite hydrogel partially mimics the distribution of mineral crystals within the ECM. Incorporation of SiNPs@NFs enhances the mechanical properties of the composite hydrogel. In addition, the composite hydrogel provides a biocompatible microenvironment for cell adhesion, proliferation, and osteogenic differentiation in vitro. In vivo studies confirm that the successful repair is achieved with the formation of a large amount of new bone in the large‐sized cranial defects that are treated with the composite hydrogel. In conclusion, the SiNPs@NFs‐reinforced‐hydrogel fabricated in this study has the potential for use in bone tissue engineering.
Detection of feline norovirus using commercial real-time RT-PCR kit for the diagnosis of human norovirus infection

Feline noroviruses (FNoVs) are potential clinical pathogens in cats. To perform an epidemiological study of FNoV infection, it is necessary to develop a simple and effective method for virus detection. We investigated whether a commercial human NoV quantitative RT-PCR kit for the detection of human NoVs used in medical practice can be applied for FNoV detection. This kit was capable of detecting the FNoV gene regardless of the genogroup (GIV and GVI) in experimental and field samples. Based on the above findings, it is possible to detect FNoVs using human NoV tests. The relationship between FNoV infection and gastroenteritis in cats may be clarified by applying these methods to an epidemiological survey of FNoVs.
Molecular Dynamics Simulations for Predicting Surface Wetting

The investigation of wetting of a solid surface by a liquid provides important insights; the contact angle of a liquid droplet on a surface provides a quantitative measurement of this interaction and the degree of attraction or repulsion of that liquid type by the solid surface. Molecular dynamics (MD) simulations are a useful way to examine the behavior of liquids on solid surfaces on a nanometer scale. Thus, we surveyed the state of this field, beginning with the fundamentals of wetting calculations to an examination of the different MD methodologies used. We highlighted some of the advantages and disadvantages of the simulations, and look to the future of computer modeling to understand wetting and other liquid-solid interaction phenomena.
Viral G Protein–Coupled Receptors: Attractive Targets for Herpesvirus-Associated Diseases

Herpesviruses are ubiquitous pathogens that establish lifelong, latent infections in their host. Spontaneous reactivation of herpesviruses is often asymptomatic or clinically manageable in healthy individuals, but reactivation events in immunocompromised or immunosuppressed individuals can lead to severe morbidity and mortality. Moreover, herpesvirus infections have been associated with multiple proliferative cardiovascular and post-transplant diseases. Herpesviruses encode viral G protein–coupled receptors (vGPCRs) that alter the host cell by hijacking cellular pathways and play important roles in the viral life cycle and these different disease settings. In this review, we discuss the pharmacological and signaling properties of these vGPCRs, their role in the viral life cycle, and their contribution in different diseases. Because of their prominent role, vGPCRs have emerged as promising drug targets, and the potential of vGPCR-targeting therapeutics is being explored. Overall, these vGPCRs can be considered as attractive targets moving forward in the development of antiviral, cancer, and/or cardiovascular disease treatments. Significance Statement In the last decade, herpesvirus-encoded G protein–coupled receptors (GPCRs) have emerged as interesting drug targets with the growing understanding of their critical role in the viral life cycle and in different disease settings. This review presents the pharmacological properties of these viral receptors, their role in the viral life cycle and different diseases, and the emergence of therapeutics targeting viral GPCRs.
Pyrite oxidation in acidic medium: overall reaction pathway

This study investigated the oxidation processes of pyrite by dissolved oxygen. Synthetic pyrite suspensions have reacted with dissolved oxygen in a closed‐thermostated system for 20 h and at pH values of 2.0 and 3.5. Special emphasis was made on the characterization of the solid phase formed during the reaction process, using X‐ray photoelectron spectroscopy (XPS) and confocal Raman microspectrometry. The results revealed a strong heterogeneity of the samples with the identification of two different micrometric areas. Eg and Ag Raman pyrite modes were characterized by wavenumber drifts, from 0 to 6, correlated with the shine changes of the micrometric probed area. XPS analyses provided evidence of the distribution of iron and sulfur species at the reacted pyrite surface. The Fe(2p3/2) signals showed an increase in the binding energy range typical of Fe(III)S and Fe(III)O compounds. The S(2p) XPS signals included contribution from disulfide, monosulfide, elemental sulfur, and sulfate. Elemental sulfur should be protected from sublimation under ultrahigh vacuum, possibly by an overlaying of other species such as Fe(III) (oxyhydr)oxide species. An overall reaction pathway of the pyrite in oxidizing (Cr(VI), dissolved oxygen, Fe(III)), and acidic media (pH ⩽3.5) has been established from the present results and previous papers. Copyright © 2008 John Wiley & Sons, Ltd.
PHYTOCHEMICAL SCREENING OF PSIDIUM GUAJAVA BARK AND IN VITRO ANTIOXIDANT ACTIVITY OF PSIDIUM GUAJAVA BARK TANNINS

Objective: Medicinal plants have been used in primary health care over many centuries before the advent of modern medicine. Psidium guajava is one of the important medicinal plants having many therapeutic uses. The present study deals with phytochemical investigations of Psidium guajava bark and in vitro antioxidant activities of Psidium guajava bark tannins. Method: Acetone, Ethanol and Water extracts of Psidium guajava bark were assessed for the phytochemical screening. Extraction of tannin from guava bark was assessed using a cold extraction method. Total phenolic content was estimated using Folin-Ciocalteau’s method. Tannin was estimated using Folin-Denis method. The antioxidant activity was determined by measuring the scavenging activity of 2,2-diphenyl-1-picryl-hydrazyl (DPPH), Nitric oxide radical, super oxide radical activity and Neutrophil-MTT assay. Ascorbic acid and Butylated hydroxytoluene (BHT) were used as standard drugs for the antioxidant studies. Results: The phytochemical analysis of guava bark revealed the presence of tannins, flavonoids, saponins, glycosides and phenols in all three bark extracts (Acetone, Ethanol and Water). The bark tannin extract possessed strong scavenging activity against DPPH, Nitric oxide radical, super oxide radical and Neutrophil-MTT assays, IC 50 values were 31.94 mg/ml, 54.37mg/ml, 19.04 mg/ml and 95.41 mg/ml respectively. Conclusion: From the results, it may be concluded that tannins present in the bark of Psidium guajava may be responsible for the antioxidant activity and has promising therapeutic potential, its pharmacological properties which if properly harness can be used in the management of various diseases and can serve as a base for the development of novel potent drug. Keywords: Medicinal plants, Psidium guajava , tannins, antioxidants, neutrophil-MTT assay.
Movement‐induced hypoalgesia: behavioral characteristics and neural mechanisms

Pain is essential for our survival because it helps to protect us from severe injuries. Nociceptive signals may be exacerbated by continued physical activities but can also be interrupted or overridden by physical movements, a process called movement‐induced hypoalgesia. Several neural mechanisms have been proposed to account for this effect, including the reafference principle, non‐nociceptive interference, and top‐down descending modulation. Given that the hypoalgesic effects of these mechanisms temporally overlap during movement execution, it is unclear whether movement‐induced hypoalgesia results from a single neural mechanism or from the joint action of multiple neural mechanisms. To address this question, we conducted five experiments on 129 healthy humans by assessing the hypoalgesic effect after movement execution. Combining psychophysics and electroencephalographic recordings, we quantified the relationship between the strength of voluntary movement and the hypoalgesic effect, as well as the temporal and spatial characteristics of the hypoalgesic effect. Our findings demonstrated that movement‐induced hypoalgesia results from the joint action of multiple neural mechanisms. This investigation is the first to disentangle the distinct contributions of different neural mechanisms to the hypoalgesic effect of voluntary movement, which extends our understanding of sensory attenuation arising from voluntary movement and may prove instrumental in developing new strategies for pain management.
Osmosensing by WNK Kinases

With No Lysine (K) WNK kinases regulate electro-neutral cotransporters that are controlled by osmotic stress and chloride. We showed previously that autophosphorylation of WNK1 is inhibited by chloride, raising the possibility that WNKs are activated by osmotic stress. Here we demonstrate that unphosphorylated WNK isoforms 3 and 1 autophosphorylate in response to osmotic pressure in vitro, applied with the crowding agent polyethylene glycol (PEG)400 or osmolyte ethylene glycol (EG), and that this activation is opposed by chloride. Small angle x-ray scattering of WNK3 in the presence and absence of PEG400, static light scattering in EG, and crystallography of WNK1 were used to understand the mechanism. Osmosensing in WNK3 and WNK1 appears to occur through a conformational equilibrium between an inactive, unphosphorylated, chloride-binding dimer and an autophosphorylation-competent monomer. An improved structure of the inactive kinase domain of WNK1, and a comparison with the structure of a monophosphorylated form of WNK1, suggests that large cavities, greater hydration, and specific bound water may participate in the osmosensing mechanism. Our prior work showed that osmolytes have effects on the structure of phosphorylated WNK1, suggestive of multiple stages of osmotic regulation in WNKs.