Direct Measurements of Covalently Bonded Sulfuric Anhydrides from Gas-Phase Reactions of SO with Acids under Ambient Conditions.

Sulfur trioxide (SO) is an important oxide of sulfur and a key intermediate in the formation of sulfuric acid (HSO, SA) in the Earth's atmosphere. This conversion to SA occurs rapidly due to the reaction of SO with a water dimer. However, gas-phase SO has been measured directly at concentrations that are comparable to that of SA under polluted mega-city conditions, indicating gaps in our current understanding of the sources and fates of SO.

Cefoxitin for Intra-amniotic Infections and Endometritis: A Retrospective Comparison to Traditional Antimicrobial Therapy Regimens Within a Healthcare System.

Background: Local institutional guidelines and order sets were updated in June 2023 to recommend first-line cefoxitin monotherapy for the treatment of intra-amniotic infections (IAIs) and endometritis. This study evaluated the clinical impact of this change.

Methods: This was a retrospective, observational cohort study in an 11-campus health system comparing clinical outcomes of patients with chorioamnionitis, endometritis, or septic abortion receiving intravenous antimicrobial therapy before and after implementation of first-line cefoxitin monotherapy recommendations for the treatment of these infections.

A systematic study on the kinetics of H-shift reactions in pristine acyl peroxy radicals.

A series of acyl peroxy radical H-shifts were systematically studied using computational approaches. Acyl peroxy radicals were categorized into small- (ethanal-pentanal), medium- (hexanal and heptanal) and large-sized (octanal and nonanal) molecules. The H-shifts spanning from 1,4 to 1,9 were inspected for each studied system.

Molecular rearrangement of bicyclic peroxy radicals is a key route to aerosol from aromatics.

The oxidation of aromatics contributes significantly to the formation of atmospheric aerosol. Using toluene as an example, we demonstrate the existence of a molecular rearrangement channel in the oxidation mechanism. Based on both flow reactor experiments and quantum chemical calculations, we show that the bicyclic peroxy radicals (BPRs) formed in OH-initiated aromatic oxidation are much less stable than previously thought, and in the case of the toluene derived ipso-BPRs, lead to aerosol-forming low-volatility products with up to 9 oxygen atoms on sub-second timescales.

Assessment of sol-gel derived iron oxide substituted 45S5 bioglass-ceramics for biomedical applications.

Magnetic bioactive glass-ceramic (MGC) powders with nominal compositions of (45 - )SiO24.5CaO24.5NaO6POFeO ( = 2, 4, 6, 8, 10, and 15 wt%) have been synthesized by a sol-gel route by systematically substituting silicon dioxide with iron oxide in Hench's 45S5 glass composition.

Improvement in neck ultrasound report quality following the implementation of European Thyroid Association guidelines for postoperative cervical ultrasound for thyroid cancer follow-up, a prospective population study.

Objective: The aim of this study was to prospectively evaluate the quality of postoperative neck ultrasound (POU) for thyroid cancer patients after implementing European Thyroid Association (ETA) guideline-based POU assessment.

Methods: Our analysis involved 672 differentiated thyroid cancer patients. POU report quality was compared between the implementation radiology group (IRG), which implemented ETA guideline-based assessment in 2018, and all non-implementation radiology groups (NIRG).

Fragment-based design and MD simulations of human papilloma virus-16 E6 protein inhibitors.

The main objective of this study is to screen potential small molecule inhibitors against HPV (Human Papilloma Virus)-16 E6 protein (HPV16 E6P) using a fragment-based approach. Twenty-six natural HPV inhibitors were selected based on the review of the literature. Among them, Luteolin was selected as the reference compound.

Tunable heat generation in nickel-substituted zinc ferrite nanoparticles for magnetic hyperthermia.

We report a high-performance magnetic nanoparticle as a hyperthermic agent under low applied field and frequency. CTAB (cetyltrimethylammonium bromide)-coated Ni Zn FeO nanoparticles of average particle size < 25 nm with various stoichiometric ratios were successfully synthesized using a co-precipitation technique. Characterization results indicate a close interaction of CTAB ions with the surface metal ions resulting in a cation distribution deviating from their equilibrium positions.

Ultrasound-Guided Compared With Non-Ultrasound-Guided Placement of Immediate Postpartum Intrauterine Contraceptive Devices.

Immediate postpartum placement of intrauterine devices (IUDs) can help reduce unintended short-interval pregnancy; however, the rate of spontaneous device expulsion is increased. The objective of this study is to evaluate the risk of expulsion with ultrasound-guided placement of immediate postpartum IUDs. Retrospective review of all patients receiving immediate postpartum IUDs after vaginal delivery at Prisma Health Richland Hospital from 2018 to 2020 was performed.

Improvement in thyroid ultrasound report quality with radiologists' adherence to 2015 ATA or 2017 TIRADS: a population study.

Objectives: There has been slow adoption of thyroid ultrasound guidelines with adherence rates as low as 30% and no population-based studies investigating adherence to guideline-based malignancy risk assessment. We therefore evaluated the impact of adherence to the 2015 ATA guidelines or 2017 ACR-TIRADS guidelines on the quality of thyroid ultrasound reports in our healthcare region.

Methods: We reviewed 899 thyroid ultrasound reports of patients who received fine-needle aspiration biopsy and were diagnosed with Bethesda III or IV nodules or thyroid cancer.

Solving the discrepancy between the direct and relative-rate determinations of unimolecular reaction kinetics of dimethyl-substituted Criegee intermediate (CH)COO using a new photolytic precursor.

We have performed direct kinetic measurements of the thermal unimolecular reaction of (CH)COO in the temperature range 243-340 K and pressure range 5-350 Torr using time-resolved UV-absorption spectroscopy. We have utilized a new photolytic precursor, 2-bromo-2-iodopropane ((CH)CIBr), which photolysis at 213 nm in the presence of O produces acetone oxide, (CH)COO. The results show that the thermal unimolecular reaction is even more important main loss process of (CH)COO in the atmosphere than direct kinetic studies have suggested hitherto.

Oxidative degradation perturbs physico-chemical properties of hemoglobin in cigarette smokers: a threat to different biomolecules.

Context: Cigarette smokers develop structural modification in hemoglobin (Hb) and this modification enable Hb to undergo higher rate of auto-oxidation, leading to generation of further intracellular ROS.

Objective: In this study, we exhibited the possible cause and consequences of Hb modification in cigarette smokers.

Methods: Twenty-two smokers and 16 nonsmokers, aged 25 to 35 years, having a smoking history of 7-10 years were recruited in this study.

An experimental and master-equation modeling study of the kinetics of the reaction between resonance-stabilized (CH)CCHCH radical and molecular oxygen.

The kinetics of the reaction between resonance-stabilized (CH)CCHCH radical (R) and O has been investigated using photoionization mass spectrometry, and master equation (ME) simulations were performed to support the experimental results. The kinetic measurements of the (CH)CCHCH + O reaction (1) were carried out at low helium bath-gas pressures (0.2-5.

Clinical Characteristics and Outcomes Based on Race of Hospitalized Patients With COVID-19 in a New Orleans Cohort.

Background: In Louisiana, deaths related to COVID-19 have disproportionately occurred in Black persons. Granular data are needed to better understand inequities and develop prevention strategies to mitigate further impact on Black communities.

Methods: We conducted a retrospective study of patients admitted to an urban safety net hospital in New Orleans, Louisiana, with reactive SARS-CoV-2 testing from March 9 to 31, 2020.

Yttrium iron garnet for hyperthermia applications: Synthesis, characterization and in-vitro analysis.

Exclusive magnetocaloric properties of orthoferrites offer advantages for their application in the magnetic hyperthermia as well as imaging applications. In the present study, the effect of yttrium concentration on the magnetic characteristics of the iron oxide based nanomaterials was analyzed to assess their potential for the hyperthermia applications. The Sol-gel method was used to synthesize the Yttrium Iron Garnet (YIG) based nanoparticles, using different molar ratios of Fe and Y precursors, followed by the calcination at 900, 1000 and 1100 °C.

Time-resolved, broadband UV-absorption spectrometry measurements of Criegee intermediate kinetics using a new photolytic precursor: unimolecular decomposition of CHOO and its reaction with formic acid.

We present a time-resolved broadband cavity-enhanced UV-absorption spectrometer apparatus that we have constructed and utilized for temperature- and pressure-dependent kinetic measurements of formaldehyde oxide (CHOO) reactions. We also introduce and utilize a new photolytic precursor, bromoiodomethane (CHIBr), which photolysis at 213 nm in presence of O produces CHOO. Importantly, this precursor appears to be free from secondary reactions that may regenerate CHOO in kinetic experiments.

Synthesis, optical properties and theoretical modelling of discrete emitting states in doped silicon nanocrystals for bioimaging.

The creation of multiple emission pathways in quantum dots (QDs) is an exciting prospect with fundamental interest and optoelectronic potential. For the first time, we report multiple emission pathways in semiconductor nanocrystals (NCs) where the number of emission pathways desired is controlled by the number of dopant atoms per quantum dot. The origin of additional emission pathways is explained by interactions between dopant states and NC energy levels.

Exploring the binding dynamics of etoricoxib with human hemoglobin: A spectroscopic, calorimetric, and molecular modeling approach.

Etoricoxib, widely used for the treatment of osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, and related conditions has ample affinity to bind with globular proteins. Here, the molecular interaction between purified human hemoglobin (HHb), a major heme protein and etoricoxib, a cyclooxygenase-2 inhibitor was studied by various spectroscopic, calorimetric, and molecular modeling techniques. The binding affected hypochromic changes in the Soret band of hemoglobin (Hb) and induced remarkable quenching of the intrinsic fluorescence property of protein molecules.

Thyroid nodule ultrasound reports in routine clinical practice provide insufficient information to estimate risk of malignancy.

Purpose: Ultrasonographic characteristics of thyroid nodules play an important role in estimating the risk of malignancy (ROM). Guidelines mandate all thyroid nodules be characterized by six key ultrasonographic features to estimate the ROM. Our objective was to evaluate how frequently these characteristics were identified by radiologists and the ensuing utility to estimate ROM.

Early HIV Diagnosis Leads to Significantly Decreased Costs in the First 2 Years of HIV Care in an Urban Charity Hospital in New Orleans.

We undertook a retrospective cohort study of patients with a positive HIV test in the emergency department who were then linked to care. Inpatient, outpatient, and emergency costs were collected for the first 2 years after HIV diagnosis. Fifty-six patients met the inclusion criteria; they were predominantly uninsured (73%) and African American (89%).

Binding of ibuprofen to human hemoglobin: elucidation of their molecular recognition by spectroscopy, calorimetry, and molecular modeling techniques.

Ibuprofen, used for the treatment of acute and chronic pain, osteoarthritis, rheumatoid arthritis, and related conditions has ample affinity to globular proteins. Here we have explored this fundamental study pertaining to the interaction of ibuprofen with human hemoglobin (HHb), using multispectroscopic, calorimetric, and molecular modeling techniques to gain insights into molecular aspects of binding mechanism. Ibuprofen-induced graded decrease in absorption spectra indicates protein disruption along with sedimentation of HHb particle.

Binding and Release between Polymeric Carrier and Protein Drug: pH-Mediated Interplay of Coulomb Forces, Hydrogen Bonding, van der Waals Interactions, and Entropy.

The accelerating search for new types of drugs and delivery strategies poses challenge to understanding the mechanism of delivery. To this end, a detailed atomistic picture of binding between the drug and carrier is quintessential. Although many studies focus on the electrostatics of drug-vector interactions, it has also been pointed out that entropic factors relating to water and counterions can play an important role.