Indoor air quality improvement with filtration and UV-C on mitigation of particulate matter and airborne bacteria: Monitoring and modeling.

Indoor air, especially with suspended particulate matter (PM), can be a carrier of airborne infectious pathogens. Without sufficient ventilation, airborne infectious diseases can be transmitted from one person to another. Indoor air quality (IAQ) significantly impacts people's daily lives as people spend 90% of their time indoors.

Evaluation of an Air Cleaning Device Equipped with Filtration and UV: Comparison of Removal Efficiency on Particulate Matter and Viable Airborne Bacteria in the Inlet and Treated Air.

Since the COVID-19 pandemic, improving indoor air quality (IAQ) has become vital for the public as COVID-19 and other infectious diseases can transmit via inhalable aerosols. Air cleaning devices with filtration and targeted pollutant treatment capabilities can help improve IAQ. However, only a few filtration/UV devices have been formally tested for their effectiveness, and little data is publicly available and UV doses comparable.

Designing and Testing of a System for Aerosolization and Recovery of Viable Porcine Reproductive and Respiratory Syndrome Virus (PRRSV): Theoretical and Engineering Considerations.

Porcine reproductive and respiratory syndrome virus (PRRSV) infections cause significant economic losses to swine producers every year. Aerosols containing infectious PRRSV are an important route of transmission, and proper treatment of air could mitigate the airborne spread of the virus within and between barns. Previous bioaerosol studies focused on the microbiology of PRRSV aerosols; thus, the current study addressed the engineering aspects of virus aerosolization and collection.

Evaluation of TiO Based Photocatalytic Treatment of Odor and Gaseous Emissions from Swine Manure with UV-A and UV-C.

It is essential to mitigate gaseous emissions that result from poultry and livestock production to increase industry sustainability. Odorous volatile organic compounds (VOCs), ammonia (NH), hydrogen sulfide (HS), and greenhouse gases (GHGs) have detrimental effects on the quality of life in rural communities, the environment, and climate. This study's objective was to evaluate the photocatalytic UV treatment of gaseous emissions of odor, odorous VOCs, NH, and other gases (GHGs, O-sometimes considered as by-products of UV treatment) from stored swine manure on a pilot-scale.

Design and Testing of Mobile Laboratory for Mitigation of Gaseous Emissions from Livestock Agriculture with Photocatalysis.

Livestock production systems generate nuisance odor and gaseous emissions affecting local communities and regional air quality. There are also concerns about the occupational health and safety of farmworkers. Proven mitigation technologies that are consistent with the socio-economic challenges of animal farming are needed.

Pilot-Scale Testing of UV-A Light Treatment for Mitigation of NH, HS, GHGs, VOCs, Odor, and O Inside the Poultry Barn.

Poultry farmers are producing eggs, meat, and feathers with increased efficiency and lower carbon footprint. Technologies to address concerns about the indoor air quality inside barns and the gaseous emissions from farms to the atmosphere continue to be among industry priorities. We have been developing and scaling up a UV air treatment that has the potential to reduce odor and other gases on the farm scale.

Improved quantification of livestock associated odorous volatile organic compounds in a standard flow-through system using solid-phase microextraction and gas chromatography-mass spectrometry.

Aerial emissions of odorous volatile organic compounds (VOCs) are an important nuisance factor from livestock production systems. Reliable air sampling and analysis methods are needed to develop and test odor mitigation technologies. Quantification of VOCs responsible for livestock odor remains an analytical challenge due to physicochemical properties of VOCs and the requirement for low detection thresholds.

Thermally persistent carbonyl nitrene: FC(O)N.

Transient carbonyl nitrenes RC(O)N, formed during thermal- or photoinduced decomposition of carbonyl azides RC(O)N3, are highly liable to the Curtius rearrangement, producing isocyanates RNCO in almost quantitative yield. Contrary to common belief, we found a thermally persistent triplet carbonyl nitrene, FC(O)N, that can be produced by flash pyrolysis of FC(O)N3 in 49% yield. The computed CBS-QB3 activation barrier for the thermal decomposition of FC(O)N3 to FC(O)N is 29 kJ mol(-1) lower than that for a concerted pathway producing FNCO.

Computational rationalization for the observed ground-state multiplicities of fluorinated acylnitrenes.

Computational methods are used to investigate the mechanism by which fluorination of acetylnitrene reduces the stabilization of the singlet configuration. ΔEST is made more positive (favoring the triplet state) by 1.9, 1.

Computational investigation of the photochemical deoxygenation of thiophene-S-oxide and selenophene-Se-oxide.

CASSCF and multireference MP2 calculations were carried out on thiophene-S-oxide (TO) and selenophene-Se-oxide (SeO), comparing the energies of the ground state to the first two electronically excited singlet and triplet states, using constrained optimizations and multiple fixed S-O or Se-O distances. For both molecules, one of the two triplet states smoothly dissociates to yield O((3)P) with little or no barrier. Single point calculations are consistent with the same phenomenon occurring for dibenzothiophene-S-oxide (DBTO).

Laboratory-scale investigation of UV treatment of ammonia for livestock and poultry barn exhaust applications.

The feasibility of using deep ultraviolet (UV) treatment for abatement of ammonia (NH(3)) in livestock and poultry barn exhaust air was examined in a series of laboratory-scale experiments. These experiments simulated moving exhaust air through an irradiation chamber with variables of UV wavelength and dose, NH(3) concentrations, humidity, and presence of hydrogen sulfide (H(2)S). Ammonia, initially at relevant barn exhaust concentrations in air, was substantially or completely reduced by irradiation with 185 nm light.

Selenium-modified TiO2 and its impact on photocatalysis.

This work describes the preparation of a selenium-modified TiO(2) photocatalyst and a preliminary evaluation of its photocatalytic activity. Se-TiO(2) displayed greater visible absorption than undoped TiO(2) and was still capable of degrading quinoline at a slightly faster rate than undoped TiO(2) under UV light. Se-TiO(2) was also able to degrade organic molecules under purely visible light by a single electron transfer pathway.

A simple and mild synthesis of 1H-isochromenes and (Z)-1-alkylidene-1,3-dihydroisobenzofurans by the iodocyclization of 2-(1-alkynyl)benzylic alcohols.

A variety of iodo-substituted isochromenes, dihydroisobenzofurans, and pyranopyridines are readily prepared in good to excellent yields under mild conditions by the iodocyclization of readily available 2-(1-alkynyl)benzylic alcohols or 2-(1-alkynyl)-3-(hydroxymethyl)pyridines. Reactions are carried out in MeCN at 25 degrees C with 3 equiv of I(2) as the iodine source and NaHCO(3) (3 equiv) as the base. The regiochemical outcome of the reaction strongly depends on the substitution pattern of the starting material.

Reaction of dicarbomethoxycarbene with thiophene derivatives.

Photolysis of derivatives of dimethylmalonate thiophene-S,C-ylide provides dicarbomethoxycarbene, which can react with thiophene to form dimethyl (2-thienyl)malonate. By generation of dicarbomethoxycarbene from the dibenzothiophene-based ylide in neat thiophene, it is shown that the thienylmalonate is not a product of rearrangement of the thiophene ylide, in contrast to thermolysis results. Formation of the thienylmalonate is suppressed by substitution of any sort in the 2- and 5-positions on the thiophene and by substitution with an electron-withdrawing substituent.

Modulation of carbene spin state population through precursor photophysics.

Dicarbomethoxycarbene can be generated by photolysis of S-C sulfonium ylides derived from thiophene. By manipulating the thiophene (leaving group) portion of the ylide, the initial spin distribution of the carbenes can be strongly influenced. With certain carbene traps, product distributions from dicarbomethoxycarbene depend on the initial spin state distribution in which the carbene is generated and this is used as a means to report on the initial spin state distributions.

Photochemistry of N-acetyl-, N-trifluoroacetyl-, N- mesyl-, and N-tosyldibenzothiophene sulfilimines.

Time-resolved infrared (TRIR) spectroscopy, product studies, and computational methods were applied to the photolysis of sulfilimines derived from dibenzothiophene that were expected to release acetylnitrene, trifluoroacetylnitrene, mesylnitrene, and tosylnitrene. All three methods provided results for acetylnitrene consistent with literature precedent and analogous experiments with the benzoylnitrene precursor, i.e.

Simultaneous chemical and sensory characterization of volatile organic compounds and semi-volatile organic compounds emitted from swine manure using solid phase microextraction and multidimensional gas chromatography-mass spectrometry-olfactometry.

Swine manure is associated with emissions of odor, volatile organic compounds (VOCs) and other gases that can affect air quality on local and regional scales. In this research, a solid phase microextraction (SPME) and novel multidimensional gas chromatography-mass spectrometry-olfactometry (MDGC-MS-O) system were used to simultaneously identify VOCs and related odors emitted from swine manure. Gas samples were extracted from manure headspace using Carboxen/polydimethylsiloxane (PDMS) 85-microm SPME fibers.

S,C-sulfonium ylides from thiophenes: potential carbene precursors.

Photolysis of S,C-sulfonium ylides derived from thioanisol, thiophene, benzothiophene, or dibenzothiophene provides products deriving from dicarbomethoxycarbene. In methanol, no rearrangement of the carbene to the ketene derivative is observed. Formation of dibenzothiophene and benzothiophene is quantitative.

Sulfur and selenium ylide bond enthalpies.

The bond dissociation enthalpies (BDEs) of sulfur and selenium ylides have been estimated by applying MP2/6-311++G(3df,2p)//MP2/6-31G(d,p), G3, and other computational methods. Computed sulfoxide bond enthalpies were compared to experimental results to ensure the reliability of the computational methods before extending to related compounds. The examined ylides include the following: sulfoxides, sulfilimines, S,C-sulfonium ylides, and selenoxides.

Photochemistry of sulfilimine-based nitrene precursors: generation of both singlet and triplet benzoylnitrene.

Photolysis of N-benzoyl-S,S-diphenylsulfilimine or N-benzoyl dibenzothiophene sulfilimine produces PhNCO and also benzoylnitrene. Direct observation of the triplet nitrene, energetic differences between the singlet and triplet state of the nitrene, and oxygen quenching experiments suggest that the triplet nitrene derives from the triplet excited state of the sulfilimine precursors, rather than through equilibration of nearby singlet and triplet states of the nitrene itself. In acetonitrile, the formation of an ylide, followed by cyclization to the corresponding oxadiazole, is the predominant nitrene chemistry, occurring on the time scale of a few microseconds and few tens of microseconds, respectively.

Aryl to aryl palladium migration in the Heck and Suzuki coupling of o-halobiaryls.

A novel 1,4-palladium migration between the o- and o'-positions of biaryls has been observed in organopalladium intermediates derived from o-halobiaryls. The organopalladium intermediates generated by this migration have been trapped either by a Heck reaction employing ethyl acrylate or by Suzuki cross-coupling using arylboronic acids. This palladium migration can be activated or deactivated by choosing the appropriate reaction conditions.

Kinetics, mechanism, and computational studies of rhenium-catalyzed desulfurization reactions of thiiranes (thioepoxides).

The oxorhenium(V) dimer {MeReO(edt)}2 (1; where edt = 1,2-ethanedithiolate) catalyzes S atom transfer from thiiranes to triarylphosphines and triarylarsines. Despite the fact that phosphines are more nucleophilic than arsines, phosphines are less effective because they rapidly convert the dimer catalyst to the much less reactive catalyst [MeReO(edt)(PAr3)] (2). With AsAr3, which does not yield the monomer, the rate law is given by v = k[thiirane][1], independent of the arsine concentration.

Computational study of sulfur atom-transfer reactions from thiiranes to ER3 (E = As, P; R = CH3, Ph).

Computational estimates have been made for the P=S and As=S bond strengths in triphenylphosphine sulfide and triphenylarsine sulfide, on the basis of G3 calculations for the methyl analogues and isodesmic-exchange reactions. Also, with the performance of the G3 method level for related compounds taken into consideration, the best estimates are 82 and 68 kcal/mol, respectively. While the value for triphenylarsine sulfide is within 2 kcal/mol of the single experimental estimate, that for triphenylphosphine sulfide is lower by 6 kcal/mol.

Photochemistry of substituted dibenzothiophene oxides: the effect of trapping groups.

[reaction: see text] Photolyses of dibenzothiophene sulfoxides (DBTOs) with intramolecular trapping functionalities attached in the 4-position show higher quantum yields of deoxygenation. Deoxygenation quantum yields are also less solvent dependent for the substituted DBTOs. Product analysis shows a detectable amount of intramolecular O-trapped products and suggests that solvent effects observed in previous studies of DBTO derive at least mainly from the reactivity between the oxidizing species that is released, presumably O((3)P), and the solvent, rather than from other macroscopic solvent parameters.

Use of chiral ionic liquids as solvents for the enantioselective photoisomerization of dibenzobicyclo[2.2.2]octatrienes.

[Reaction: see text] Six chiral ionic liquids were prepared and evaluated as "chiral induction solvents" in which two different dibenzobicyclo[2.2.2]octatrienes were photoisomerized to chiral products.