cssi/SciSciGPT-SciSciNet huggingface dataset:
Drug Metabolism in Preclinical Drug Development: A Survey of the Discovery Process, Toxicology, and Computational Tools.

Background While establishing efficacy in translational models and humans through clinically-relevant endpoints for disease is of great interest, assessing the potential toxicity of a putative therapeutic drug is critical. Toxicological assessments in the pre-clinical discovery phase help to avoid future failure in the clinical phases of drug development. Many in vitro assays exist to aid in modular toxicological assessment, such as hepatotoxicity and genotoxicity. While these methods have provided tremendous insight into human toxicity by investigational new drugs, they are expensive, require substantial resources, and do not account for pharmacogenomics as well as critical ADME properties. Computational tools can fill this niche in toxicology if in silico models are accurate in relating drug molecular properties to toxicological endpoints as well as reliable in predicting important drug-target interactions that mediate known adverse events or adverse outcome pathways (AOPs). Methods We undertook an unstructured search of multiple bibliographic databases for peer-reviewed literature regarding computational methods in predictive toxicology for in silico drug discovery. As this review paper is meant to serve as a survey of available methods for the interested reader, no focused criteria were applied. Literature chosen was based on the writers' expertise and intent in communicating important aspects of in silico toxicology to the interested reader. Conclusion This review provides a purview of computational methods of pre-clinical toxicologic assessments for novel small molecule drugs that may be of use for novice and experienced investigators as well as academic and commercial drug discovery entities.
Numerical Algorithm for Inverting the Pure Characteristics Model of Demand

I have provided an algorithm to invert market shares in pure characteristics model with arbitrary number of random coefficients by using first order information of direct mapping from structural parameters to market shares (Jacobian matrix). I have coded that algorithm, checked that it correctly calculates Jacobian and used it in series of MC-simulations. I find that this algorithm inverts market shares for small number of products exactly all the time if I give it a good guess and it successfully inverts market share from random starting point 100 percent of the time. Increasing number of products to 100 is possible, but the problem of zero market share during solving routine arises. I have provided algorithmic remedy for it so that I am able to invert market shares even for number of products as high as 100. I used the combination of good initial guess that is a solution to undisturbed problem and changing the delta_j for products that appeared to have zero market share during the solution routine. Combining these techniques allowed me to successfully invert market shares in all cases. I find that using sparse grids that have negative weights on some nodes makes the problem non-monotone and unstable. I also showed that using the quadrature integration rules is valid in this setting. I think this set of algorithms may be useful in empirical work and be incorporated into estimation procedures that estimate structural models with random coefficients based on pure characteristics model.
Multiplex Cathepsin Zymography to Detect Amounts of Active Cathepsins K, L, S, and V

Cysteine cathepsins are powerful proteases that can degrade other proteins, among which are the extracellular matrix proteins collagen and elastin. Multiplex cathepsin zymography is an assay that can quantify the amount of active cathepsins in a cell or tissue preparation. This method works for measuring the amounts of active cathepsins K, L, S, and V in a cell or tissue preparation without requiring the use of antibodies for specific identification which tremendously reduces cost. This chapter will demonstrate the utility and interpretation of this method with mammalian cells and tissue to quantify amounts of active cathepsins K, L, S, and V without complicating signals of the procathepsin. Multiplex cathepsin zymography has many advantages: (1) it separates cathepsins K, L, S, and V by electrophoretic migration distance, (2) allows visual confirmation of cathepsin identity, (3) does not detect procathepsins, and (4) can be quantified with densitometry.
Ganglioglioma of brain stem and cervicomedullary junction: A 50 years review of literature

Gangliogliomas are rare low-grade brain tumors composed of both neoplastic glial and neuronal cell elements. The treatment modalities are relatively different in this location and hence factors affecting outcome are poorly understood. We identified 142 brain stem GG patients across 46 studies. The average age was 11.4years with significant difference b/w males and females under the age of 20 (p=0.001). 100% of tumors in the CMJ while, 72% of type I and 86% of type II tumors demonstrated contrast enhancement. 72% of type I and 86% of type II tumors demonstrated contrast enhancement. All BRAF mutation positive tumors demonstrated contrast enhancement. Medulla and pons was the most favorable location followed by medulla alone, and the CMJ. In all tumors "gross total resection" (GTR, 16%), "subtotal resection" (STR, 48%) or "partial resection" (PR, 36%) was achieved. Most subtypes II and III were partially resected (86% and 66%), while, subtype I underwent STR (66%). Only 55% of the patients were positive for the BRAF V600E mutation. The overall survival dropped from 50% at 24 to 10% at 60months, postoperatively. Through this review, we found that an early diagnosis, location, and with the imaging characteristics are vital part of the preoperative planning. Surgical resection is highly dependent on location in the brain stem with radical resection only limited to the most contrast enhancing portion of these tumors. BRAF V600E mutation status should be considered to allow the possibility of targeted therapy in case of a residual tumor and/or regrowth.
Program Knowledge and Racial Disparities in Savings Outcomes in a Child Development Account Experiment

This study investigated whether participants’ program knowledge was associated with savings outcomes in Child Development Accounts and whether differences in program knowledge explained racial and ethnic disparities in savings outcomes. We used data collected from White, Black, American Indian, and Hispanic treatment participants in the SEED for Oklahoma Kids (SEED OK) experiment (N = 1126). Analysis results indicated that knowledge of SEED OK program features was low, especially among members of minority groups. Logit and Tobit regressions showed that program knowledge was positively related to the likelihood of holding a SEED OK account and to individual savings amounts. Gaps in program knowledge were associated with racial disparities in savings outcomes. If Whites and minorities had the same levels of program knowledge, gaps in savings outcomes would have significantly narrowed. The findings call for the development of policy designs and communication tools to enhance knowledge of program features among households with Child Development Accounts, especially racial- and ethnic-minority households.
The distribution of zeros of ζ′(s) and gaps between zeros of ζ(s)

Abstract Assume the Riemann Hypothesis. We establish a local structure theorem for zeros of the Riemann zeta-function ζ ( s ) and its derivative ζ ′ ( s ) . As an application, we prove a stronger form of half of a conjecture of Radziwill [18] concerning the global statistics of these zeros. Roughly speaking, we show that on the Riemann Hypothesis, if there occurs a small gap between consecutive zeta zeros, then there is exactly one zero of ζ ′ ( s ) lying not only very close to the critical line but also between that pair of zeta zeros. This refines a result of Zhang [22] . Some related results are also shown. For example, we prove a weak form of a conjecture of Soundararajan, and suggest a repulsion phenomena for zeros of ζ ′ ( s ) .
Correlation of Virtual Reality Simulation and Dry Lab Robotic Technical Skills.

STUDY OBJECTIVE To examine whether a set of virtual reality (VR) surgical simulation drills have correlative validity when compared with the validated Robotic Objective Structured Assessment of Technical Skills (R-OSATS) dry lab drills. DESIGN A prospective methods comparison study (Canadian Task Force classification II-2). SETTING A teaching hospital. PARTICIPANTS Thirty current residents, fellows, and faculty from the Departments of Obstetrics and Gynecology, Urology, and General Surgery. INTERVENTIONS Participants completed 5 VR drills on the da Vinci Skills Simulator and 5 dry lab drills. Participants were randomized to the order of completion. MEASUREMENTS AND MAIN RESULTS VR drills were scored automatically by the simulator. Dry lab drills were recorded, reviewed by 3 blinded experts, and scored using the R-OSATS assessment tool. Spearman correlation coefficients were calculated comparing simulator scores and R-OSATS scores for the same surgeon. The correlation for overall summary scores between VR and dry lab drills was strong (r = 0.83; p < .01). Each of the 5 VR drills was also found to have a statistically significant correlation to its corresponding dry lab drill, with correlation coefficients ranging from r = 0.49 to 0.73 (p < .01 for all). The performance on VR drills also confirmed construct validity. Faculty and fellows had consistently higher overall scores than residents (median VR scores: 458 for faculty, 425 for fellows, 339 for residents; p < .01). CONCLUSION We selected a core set of VR drills that reliably correlate with validated dry lab R-OSATS drills. Because dry lab drills require significant time and effort on the part of the trainees and the evaluators, this set of VR drills could serve as an ancillary method of determining trainee competence.
Dinosaurier und Krimis

Kate und ich besitzen (nachdem wir unsere Sammlung mehrmals ausgemistet haben, um Platz fur die Kinder zu schaffen) mehrere hundert Bucher, darunter samtliche Nero-Wolfe-Geschichten von Rex Stout, die wir mit der Zeit auf unseren Streifzugen durch Buchantiquariate zusammengetragen haben. Es sind insgesamt 33 Romane und 39 Kurzgeschichten, die zwischen 1934 und 1974 verfasst wurden; sie handeln von den Abenteuern des korpulenten Privatdetektivs Wolfe, der sich weigert, sein Haus zu verlassen. Erzahlt werden die Geschichten von Archie Goodwin, seiner rechten Hand, der samtliche Laufereien fur die Kriminalfalle ubernimmt.
The Zeldovich approximation and wide-angle redshift-space distortions

Author(s): Castorina, E; White, M | Abstract: The contribution of line-of-sight (LOS) peculiar velocities to the observed redshift of objects breaks the translational symmetry of the underlying theory, modifying the predicted two-point functions. These 'wide-angle effects' have mostly been studied using linear perturbation theory in the context of the multipoles of the correlation function and power spectrum. In this work, we present the first calculation of wide-angle terms in the Zeldovich approximation, which is known to be more accurate than linear theory on scales probed by the next generation of galaxy surveys.We present the exact result for dark matter and perturbatively biased tracers as well as the small angle expansion of the configuration- and Fourier-space two-point functions and the connection to the multifrequency angular power spectrum. We compare different definitions of the LOS direction and discuss how to translate between them. We show that wide-angle terms can reach tens of percent of the total signal in a measurement at low redshift in some approximations, and that a generic feature of wide-angle effects is to slightly shift the Baryon Acoustic Oscillation scale.
Enzymic synthesis of ricinoleic acid by extracts of developing Ricinus communis L. seeds.

Abstract The composition of fatty acids of Ricinus communis L. (castor bean) seeds is unusual in that up to 90% of the total fatty acids consists of ricinoleic acid (12-hydroxy-18:1 (9)) according to Binder et al (1962). During the past year we have been investigating the β-oxidation of a number of fatty acids by particulate preparations obtained from the germinating seeds of this species (Yamada and Stumpf, 1963). In examining the capacity of extracts of the developing and germinating seeds to synthesize ricinoleic acid from acetate-C14, we observed there is a restricted period in the history of the developing seed when the enzymes necessary for the biosynthesis of this acid exist. Germinating seed extracts are devoid of this capacity although palmitic, stearic, oleic and linolenic acids are readily synthesized from acetate-C14. While this work was in progress, both Harris and James (1963) and Canvin (1963) reported similar findings with whole tissue. We now wish to describe the enzyme systems responsible for the synthesis of ricinoleic acid from either acetate-C14 or oleic-1-C14.
Developments in label‐free microfluidic methods for single‐cell analysis and sorting

Advancements in microfluidic technologies have led to the development of many new tools for both the characterization and sorting of single cells without the need for exogenous labels. Label-free microfluidics reduce the preparation time, reagents needed, and cost of conventional methods based on fluorescent or magnetic labels. Furthermore, these devices enable analysis of cell properties such as mechanical phenotype and dielectric parameters that cannot be characterized with traditional labels. Some of the most promising technologies for current and future development toward label-free, single-cell analysis and sorting include electronic sensors such as Coulter counters and electrical impedance cytometry; deformation analysis using optical traps and deformation cytometry; hydrodynamic sorting such as deterministic lateral displacement, inertial focusing, and microvortex trapping; and acoustic sorting using traveling or standing surface acoustic waves. These label-free microfluidic methods have been used to screen, sort, and analyze cells for a wide range of biomedical and clinical applications, including cell cycle monitoring, rapid complete blood counts, cancer diagnosis, metastatic progression monitoring, HIV and parasite detection, circulating tumor cell isolation, and point-of-care diagnostics. Because of the versatility of label-free methods for characterization and sorting, the low-cost nature of microfluidics, and the rapid prototyping capabilities of modern microfabrication, we expect this class of technology to continue to be an area of high research interest going forward. New developments in this field will contribute to the ongoing paradigm shift in cell analysis and sorting technologies toward label-free microfluidic devices, enabling new capabilities in biomedical research tools as well as clinical diagnostics. This article is categorized under: Diagnostic Tools > Biosensing Diagnostic Tools > Diagnostic Nanodevices.
Wide Range, High Resolution, Phased Array Based Beam Steering System by Metasurface Coupled Wavefront Shaping Methods

Using an optical metasurface coupled wavefront shaping methods, we demonstrate an optical beam steering system with a range approaching 2π steradian and angular resolution of about 0.01°. It has the widest range and the most number of resolvable spots among phased array methods.
Molecular Dynamics Simulations of Proteins and Protein-Protein Complexes

Advances in supercomputer technology have allowed problems involving the structure and energetics of biologically relevent macromolecules (proteins and nucleic acids) to be studied using computational methods such as molecular mechanics and molecular dynamics. In this paper, a major type of biological macromolecules, proteins, is briefly described and the empirical force fields which are used to study them at the atomic level are discussed. Results are summarized which show that supercomputer versions of molecular mechanics/dynamics programs can allow effective modeling of large proteins and protein complexes, useful prediction of protein structures based on existing structure data bases, and considerable insight into the nature of the interaction of proteins on the picosecond time scale.
Surgical treatment of achalasia in the 21st century.

Background Achalasia is a primary motility disorder of the esophagus characterized by poor mid-esophageal motility and failure of the lower esophageal sphincter to properly relax. The optimal treatment of the disease would improve esophageal peristalsis and promote lower esophageal sphincter relaxation. Currently, such therapy is not possible, so treatment of the disorder is aimed at relief of symptoms by disruption of the lower esophageal sphincter. Methods Data were collected prospectively on all patients undergoing laparoscopic myotomy and Toupet fundoplication during a 6-year period. Results Fifty-nine patients with a mean age of 44 years were treated during a 6-year period. Fifty-three patients underwent laparoscopic myotomy with Toupet fundoplication (91%), and four had laparoscopic myotomy without a fundoplication (6%). Fundoplication was not performed in two patients who had a megaesophagus. Two patients required conversion to an open operation. Sixty percent of patients were discharged the day after surgery; the average length of stay for all patients was 2.1 days. Ten percent of patients had minor complications; none required reoperation. Mortality was 0%, and 96% of patients rated their postoperative swallowing ability as excellent or good. Conclusion Surgical myotomy is becoming first-line therapy for all patients with achalasia. A strong working relationship between surgeon and gastroenterologist helps to optimize patient care.
Aqueous Shunts: Molteno versus Schocket

The authors conducted a multicenter, randomized, controlled trial to test whether the Schocket shunt with a larger shunt reservoir surface area would provide a lower final intraocular pressure than the double-plate Molteno implant. However, the Molteno implant produced a statistically lower intraocular pressure at 6 months compared with the Schocket shunt. Postoperative visual acuity, glaucoma medications, and complications were not statistically different.
Identifying and Understanding Barriers and Facilitators to Medication Adherence Among Marshallese Adults in Arkansas.

Background: Significant health disparities are present in Marshallese adults residing in the United States, most notably a high incidence of type 2 diabetes and other chronic conditions. There is l...
Clinical characteristics and survival of patients with multiple metachronous esophageal tumor.

Abstract Background The aim of this study is to determine the clinical characteristics and predictors of survival for patients with multiple metachronous esophageal tumors (MMET) and to compare the survival with patients that have single esophageal tumor (SET). Method We identified all cases of primary esophageal cancer from the Surveillance, Epidemiology and End Results program database from 2000 to 2013. The primary outcome was the development of a second esophageal cancer six months after the diagnosis of the first tumor. A secondary outcome was disease-specific death from esophageal cancer. Chi-square test was used to compare the tumor and demographic characteristics of patients with SET versus the first and second tumor characteristics of patients with MMET. Logistic regression was used to obtain the odds ratios between patients with secondary tumors and those with primary tumors. Accelerated life model was performed for patients with MMET to determine the predictors of survival. Results Patients with MMET were more likely to have localized stage disease compared to those with SET (P 5 years were associated with a reduced hazard with a β = 0.53 and 1.13, P Conclusion Early development of a second tumor in MMET is associated with poorer survival. Patients with MMET may benefit from regular follow-up and intervention to prevent the development of a second tumor.
Impact of Preeclampsia on the Relationship between Maternal Asthma and Offspring Asthma. An Observation from the VDAART Clinical Trial.

Rationale: Maternal asthma and preeclampsia have independently been reported to be associated with increased asthma incidence in children of affected mothers. Maternal asthma is also associated wit...
I Heard It through the Firewall: Exploiting Cloud Management Services as an Information Leakage Channel

Though there has been much study of information leakage channels exploiting shared hardware resources (memory, cache, and disk) in cloud environments, there has been less study of the exploitability of shared software resources. In this paper, we analyze the exploitability of cloud networking services (which are shared among cloud tenants) and introduce a practical method for building information leakage channels by monitoring workloads on the cloud networking services through the virtual firewall. We also demonstrate the practicality of this attack by implementing two different covert channels in OpenStack as well as a new class of side channels that can eavesdrop on infrastructure-level events. By utilizing a Long Short-Term Memory (LSTM) neural network model, our side channel attack could detect infrastructure level VM creation/termination events with 93.3% accuracy.
Inconsistencies of the Consistency test

The Consistency test from Dayal 2004 – inspired by Lobner's (1985) logical property of Consistency – has been used to distinguish between demonstrativesÂ and definite determiners in a language, particularly in a type-shifting analysis of bare nouns following Chierchia 1998 and Dayal 2004. This paper looks at three classifier languages, Nuosu Yi (Jiang 2018), Thai (Jenks 2015), and Shan (Moroney 2018) and examines the use of the Consistency test in the study of N/DP syntax and semantics. While the Consistency test can identify demonstratives from their ability to shift reference using deixis, it cannot identify when a nominal expression 'counts' as a definite determiner.
Learning to Recognize Abnormalities in Chest X-Rays with Location-Aware Dense Networks

Chest X-ray is the most common medical imaging exam used to assess multiple pathologies. Automated algorithms and tools have the potential to support the reading workflow, improve efficiency, and reduce reading errors. With the availability of large scale data sets, several methods have been proposed to classify pathologies on chest X-ray images. However, most methods report performance based on random image based splitting, ignoring the high probability of the same patient appearing in both training and test set. In addition, most methods fail to explicitly incorporate the spatial information of abnormalities or utilize the high resolution images. We propose a novel approach based on location aware Dense Networks (DNetLoc), whereby we incorporate both high-resolution image data and spatial information for abnormality classification. We evaluate our method on the largest data set reported in the community, containing a total of 86,876 patients and 297,541 chest X-ray images. We achieve (i) the best average AUC score for published training and test splits on the single benchmarking data set (ChestX-Ray14 [1]), and (ii) improved AUC scores when the pathology location information is explicitly used. To foster future research we demonstrate the limitations of the current benchmarking setup [1] and provide new reference patient-wise splits for the used data sets. This could support consistent and meaningful benchmarking of future methods on the largest publicly available data sets.
Incidence and Risk Factors for Venous Thromboembolism Following Hip Arthroscopy: A Population-Based Study.

Purpose To determine the incidence of symptomatic venous thromboembolism (VTE) after hip arthroscopy (HA) using a large national database while considering several patient demographic factors. Methods Patients ≥20 years old who underwent HA between 2007 and 2017 were identified within the Humana administrative claims database using relevant Current Procedural Terminology and International Classification of Diseases Ninth and Tenth Revision codes. Basic demographics, including age, gender, obesity (body mass index ≥ 30 kg/m2), oral contraceptive use, smoking history, diabetes, and chronic obstructive pulmonary disease (CLD) were recorded. Postoperative incidence of deep vein thrombosis, pulmonary embolism, and VTE was identified at 30 and 90 days postoperatively. Multivariate logistic regression analysis was performed to identify independent risk factors for VTE after HA, with statistical significance set at P Results Overall, 9,477 patients underwent HA procedures over the study period, of whom 5,085 (53.7%) were female. The overall incidence of VTE in all patients was 0.77% (n = 73) and 1.14% (n = 108) at 30 and 90 days, respectively. Multivariate analysis identified age ≥ 45 (odds ratio [OR] = 1.82; 95% confidence interval [CI], 1.36-2.49; P = .0001), obesity (OR = 1.54; 95% CI, 1.27-1.86; P Conclusions For patients undergoing HA, the incidence of symptomatic postoperative VTE is low. This study identified age ≥45, obesity, tobacco use, diabetes, and CLD as independent risk factors for VTE after HA. Level of Evidence Level III, retrospective cohort study.
Investor Demand for Leverage: Evidence from Equity Closed-End Funds

We provide evidence that investors with leverage constraints demand leverage, for the sake of leverage. We study the equity closed-end fund (CEF) market and document a strong negative relation between fund leverage and CEF discounts, indicating that investors pay a relative premium for leverage. We show that leverage changes do not signal improved fund performance. Instead, the only benefit to investors of increased leverage is amplified exposure via greater volatility and risk exposure. We utilize a quasi-natural experiment to identify leverage as a causal driver of demand and provide external validity by relating our results to the betting-against-beta factor.
A Kellog-Briand Pact for the 21st Century

This article briefly describes why the State parties to the Convention on Certain Conventional Weapons rejected human rights groups’ call for a ban on so called “killer robots.” This article contends that the international community resoundingly rejected this argument at the first ever experts meeting on lethal autonomous weapon systems (LAWS) because it ignores the wide range and longstanding use of LAWS and presupposes their future development while failing to acknowledge even the possibility that LAWS may facilitate greater protection of both military and civilians.
Plant Preferences of Z-Pheromone Race Ostrinia nubilalis (Lepidoptera: Crambidae) Based on Leaf Tissue Consumption Rates.

European corn borer, Ostrinia nubilalis Hubner (Lepidoptera: Crambidae), has been present in the United States for over 100 yr and documented on >200 plant species, including economically valuable crops. The reported preferred host of O. nubilalis is corn, Zea mays L. (Cyperales: Poaceae), although it is considered to be a generalist agricultural pest. Life cycles of the two pheromone races, E and Z, align with the seasonality of different agricultural plants. Since the introduction of Bt corn in 1996, overall O. nubilalis presence has declined and suggests that alternative crop plants might not be suitable hosts. We investigated plant vegetation preference of third-instar Z-race O. nubilalis for leaf disks of corn and a variety of other crops using 48 h no-choice and choice tests. Z-race larvae gained more mass on V6 non-Bt field corn leaf disks in comparison to other plant species options. Additionally, a preference for non-Bt field corn leaf disks was observed in most comparisons. Higher consumption of cucumber, Cucumis sativus L. (Cucurbitales: Cucurbitaceae), leaf disks as compared to non-Bt field corn leaf disks suggested an ability to feed on excised leaf tissues of a plant species that does not induce defenses to herbivory.
Problem Solving: Introduction to Search Methods

Human problem solving involves search. Therefore, to simulate human problem solving in a computer we need to develop algorithms for search. In this chapter we will lay a foundation for later chapters on advanced problem solving techniques by discussing basic search methods. Before a formal definition of problem solving is provided, we will discuss some concepts with a small, yet illustrative, example.
Evaluation of symptomatic patient saliva as a sample type for the Abbott ID NOW COVID-19 assay

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has presented significant challenges for laboratories including supply chain limitations with restricted access to reagents and sample collection materials (i.e. swabs, viral transport media (VTM)) for patients testing. Therefore, saliva has been evaluated as an alternative specimen for COVID-19 diagnosis. comparable performance between dry nasal swabs (NS) and nasopharyngeal swabs (NPS) collected in VTM has been observed with the ID NOW for SARS-CoV-2; the majority of false-negative results occur with higher cycle number (CN) or cycle threshold (Ct) values suggesting low viral load in these specimens. We performed clinical validation of saliva specimens on the ID NOW molecular platform to detect SARS-CoV-2. Saliva was compared to nasopharyngeal swabs tested on the ID NOW and the Cepheid molecular assay. We also performed stability studies of saliva samples over 5 days. A total of 96 saliva samples and 64 paired NPS were analyzed. We observed 78% (18/23) positive percent agreement (PPA) and 100% (44/44) negative percent agreement (NPA) between matched saliva and nasopharyngeal specimens performed on ID NOW. We found 83% (19/23) PPA and 100% NPA (25/25) between saliva run on the ID NOW and Cepheid assay. Six saliva specimens positive for SARS-CoV-2 were continuously positive for five days when stored at room temperature. Therefore, we propose further investigation of saliva as an alternative sample type for testing symptomatic patients with ID NOW as a promising method to address COVID-19 testing.
Beam-sensitive metal-organic framework structure determination by microcrystal electron diffraction.

Abstract Analysis of metal-organic framework (MOF) structure by electron microscopy and electron diffraction offers an alternative to growing large single crystals for high-resolution X-ray diffraction. However, many MOFs are electron beam-sensitive, which can make structural analysis using high-resolution electron microscopy difficult. In this work we use the microcrystal electron diffraction (MicroED) method to collect high-resolution electron diffraction data from a model beam-sensitive MOF, ZIF-8. The diffraction data could be used to determine the structure of ZIF-8 to 0.87 A from a single ZIF-8 nanocrystal, and this refined structure compares well with previously published structures of ZIF-8 determined by X-ray crystallography. This demonstrates that MicroED can be a valuable tool for the analysis of beam-sensitive MOF structures directly from nano and microcrystalline material.
Theoretical constraints on reciprocal and non-reciprocal many-body radiative heat transfer

We study the constraints on reciprocal and non-reciprocal many-body radiative heat transfer imposed by symmetry and the second law of thermodynamics. We show that the symmetry of such a many-body system in general forms a magnetic group, and the constraints of the magnetic group on the heat transfer can be derived using a generalized reciprocity theorem. We also show that the second law of thermodynamics provides additional constraints in the form of a nodal conservation law of heat flow at equilibrium. As an application, we provide a systematic approach to determine the existence of persistent heat current in arbitrary many-body systems.
Dual adjunct therapy with dexamethasone and dexmedetomidine in transversus abdominis plane blocks reduces postoperative opioid use in colorectal surgery

Abstract Background The objective of this study is to determine if the addition of dexmedetomidine to dexamethasone in transversus abdominis plane (TAP) blocks lowers postoperative opioid use following colorectal surgery. Methods Retrospective review of patients undergoing minimally invasive colorectal surgery and perioperative TAP block with either 1) local anesthetic and dexamethasone or 2) local anesthetic, dexamethasone, and dexmedetomidine. Post-operative opioid use was converted to morphine milligram equivalents (MME). Results 55 patients were identified: 38 (69%) receiving dexamethasone only and 17 (31%) receiving dexamethasone and dexmedetomidine. The dexamethasone and dexmedetomidine group had significantly lower median MME use at 12-h (2 vs. 13 mg), 24-h (4 vs. 28 mg), 36-h (8 vs. 38 mg), and 48-h (17 vs. 53 mg) (all p Conclusion Perioperative TAP blocks with dexamethasone and dexmedetomidine following colorectal surgery results in significantly less postoperative opioid use up to 48 h after surgery.
Pressure peaking phenomena: Unignited hydrogen releases in confined spaces – Large-scale experiments

Abstract The aim of this study was to validate a model for predicting overpressure arising from accidental hydrogen releases in areas with limited ventilation. Experiments were performed in a large-scale setup that included a steel-reinforced container of volume 14.9 m3 and variable ventilation areas and mass flow rates. The pressure peaking phenomenon, characterized as transient overpressure with a characteristic peak in a vented enclosure, was observed during all the experiments. The model description presented the relationship between the ventilation area, mass flow rate, enclosure volume, and discharge coefficient. The experimental results were compared with two prediction models representing a perfect mix and the real mix. The perfect mix assumed that all the released hydrogen was well stirred inside the enclosure during the releases. The real mix prediction s used the hydrogen concentration and temperature data measured during experiments. The prediction results with both perfect mix and real mix showed possible hazards during unignited hydrogen releases.
What Matters Most? A Prioritization of Medical Students' Preferences for Effective Teaching.

Guided by rhetorical and relational goals theory, this study explores medical students’ preferences for effective teaching using a “build-a-professor” design. Using a budget methodology, medical st...
Staphylococcus aureus Tolerance and Genomic Response to Photodynamic Inactivation.

ABSTRACT Staphylococcus aureus is an opportunistic pathogen with a clinical spectrum ranging from asymptomatic skin colonization to invasive infections. While traditional antibiotic therapies can be effective against S. aureus, the increasing prevalence of antibiotic-resistant strains results in treatment failures and high mortality rates. Photodynamic inactivation (PDI) is an innovative and promising alternative to antibiotics. While progress has been made in our understanding of the bacterial response to PDI, major gaps remain in our knowledge of PDI tolerance, the global cellular response, and adaptive genomic mutations acquired as a result of PDI. To address these gaps, S. aureus HG003 and isogenic mutants with mutations in agr, mutS, mutL, and mutY exposed to single or multiple doses of PDI were assessed for survival and tolerance and examined by global transcriptome and genome analyses to identify regulatory and genetic adaptations that contribute to tolerance. Pathways in inorganic ion transport, oxidative response, DNA replication recombination and repair, and cell wall and membrane biogenesis were identified in a global cellular response to PDI. Tolerance to PDI was associated with superoxide dismutase and the S. aureus global methylhydroquinone (MHQ)-quinone transcriptome network. Genome analysis of PDI-tolerant HG003 identified a nonsynonymous mutation in the quinone binding domain of the transcriptional repressor QsrR, which mediates quinone sensing and oxidant response. Acquisition of a heritable QsrR mutation through repeated PDI treatment demonstrates selective adaption of S. aureus to PDI. PDI tolerance of a qsrR gene deletion in HG003 confirmed that QsrR regulates the S. aureus response to PDI. IMPORTANCEStaphylococcus aureus can cause disease at most body sites, with illness ranging from asymptomatic infection to death. The increasing prevalence of antibiotic-resistant strains results in treatment failures and high mortality rates. S. aureus acquires resistance to antibiotics through multiple mechanisms, often by genetic variation that alters antimicrobial targets. Photodynamic inactivation (PDI), which employs a combination of a nontoxic dye and low-intensity visible light, is a promising alternative to antibiotics that effectively eradicates S. aureus in human infections when antibiotics are no longer effective. In this study, we demonstrate that repeated exposure to PDI results in resistance of S. aureus to further PDI treatment and identify the underlying bacterial mechanisms that contribute to resistance. This work supports further analysis of these mechanisms and refinement of this novel technology as an adjunctive treatment for S. aureus infections.
Modeling creep behavior in ceramic matrix composites

Abstract In this work, a three-dimensional viscoplasticity formulation with progressive damage is developed and used to investigate the complex time-dependent constituent load transfer and progressive damage behavior in ceramic matrix composites (CMCs) subjected to creep. The viscoplasticity formulation is based on Hill's orthotropic plastic potential, an associative flow rule, and the Norton-Bailey creep power law with Arrhenius temperature dependence. A fracture mechanics-informed isotropic matrix damage model is used to account for CMC brittle matrix damage initiation and propagation, in which two scalar damage variables capture the effects of matrix porosity as well as matrix property degradation due to matrix crack initiation and propagation. The Curtin progressive fiber damage model is utilized to simulate progressive fiber failure. The creep-damage formulation is subsequently implemented as a constitutive model in the generalized method of cells (GMC) micromechanics formulation to simulate time-dependent deformation and material damage under creep loading conditions. The developed framework is used to simulate creep of single fiber SiC/SiC microcomposites. Simulation results are in excellent agreement with experimental and numerical data available in the literature.
Impact of the COVID-19 pandemic on workplace violence at an academic emergency department.

STUDY OBJECTIVES: COVID-19 brought unique challenges; however, it remains unclear what effect the pandemic had on violence in healthcare. The objective of this study was to identify the impact of the pandemic on workplace violence at an academic emergency department (ED). METHODS: This mixed-methods study involved a prospective descriptive survey study and electronic medical record review. Within our hospital referral region (HRR), the first COVID-19 case was documented on 3/11/2020 and cases peaked in mid-November 2020. We compared the monthly HRR COVID-19 case rate per 100,000 people to the rate of violent incidents per 1000 ED visits. Multidisciplinary ED staff were surveyed both pre/early-pandemic (April 2020) and mid/late-pandemic (December 2020) regarding workplace violence experienced over the prior 6-months. The study was deemed exempt by the Mayo Clinic Institutional Review Board. RESULTS: There was a positive association between the monthly HRR COVID-19 case rate and rate of violent ED incidents (r = 0.24). Violent incidents increased overall during the pandemic (2.53 incidents per 1000 visits) compared to the 3 months prior (1.13 incidents per 1000 visits, p < .001), as well as compared to the previous year (1.24 incidents per 1000 patient visits, p < .001). Survey respondents indicated a higher incidence of assault during the pandemic, compared to before (p = .019). DISCUSSION: Incidents of workplace violence at our ED increased during the pandemic and there was a positive association of these incidents with the COVID-19 case rate. Our findings indicate health systems should prioritize employee safety during future pandemics.
Bradykinin and kininogens in bovine milk.

Abstract Two peptides exhibiting kinin activity in an isolated rat uterus assay were purified from pasteurized skim bovine milk. The amino acid sequence of the more prominent peptide was found to be that of bradykinin. Partially purified kinin preparations were also obtained from N-tosyl-L-phenylalanyl chloromethyl ketone-treated trypsin digests of non-fat dry milk and insoluble lactalbumin. The application of fast atom bombardment/mass spectrometry permitted detection of the bradykinin protonated molecular ion in each of these samples. Collision-activated decomposition of the ion of m/z 1061 confirmed it to be the protonated molecular ion of bradykinin. Fast atom bombardment/mass spectrometry analysis further confirmed the occurrence of bradykinin in a pancreatic kallikrein digest of a partially purified bovine milk kininogen preparation. In apparent contrast with bovine plasma kininogens, the forms of kininogen which occur in milk include a high Mr kininogen (Mr greater than 68,000) and a low Mr kininogen (Mr 16,000-17,000). Kinin formation from the high Mr kininogen is catalyzed by porcine pancreatic kallikrein or trypsin.
Refinement of tools used to determine outcome of nutrient therapy for seizures (LB367)

Background: Seizure Number and Medication Number currently used to evaluate the outcome of therapies for patients with seizures are often in conflict with caregivers’ description of their children’s progress. Caregivers’ verbal history incorporates seizure severity, type, length, and other variables in addition to seizure number and medication dosage in addition to medication number. Objective: Refine and compare to currently used methods Seizure Load and Medication Load, which incorporate the above additional characteristics. Methods: Medication Number and Seizure Number are calculated from daily records. Daily seizure records with number and characteristics are used to calculate Seizure Load. Minimum recommended dosage is obtained for each medication and is divided by the prescribed dosage to calculate daily Medication Load. Response during therapy is the percent change from baseline. Seizure Load Response was compared to Seizure Number Response and Medication Load Response was compared to Medication Nu...
A look at newborn screening: today and tomorrow.

The Federal Maternal and Child Health Bureau (MCHB) of the Health Resources and Services Administration (HRSA) has been involved with newborn screening and genetic testing and services since the 1960s. Although other branches of the federal government, such as the National Institutes of Health and the Centers for Disease Control and Prevention, have played key roles in newborn screening, this report focuses on the issues from the perspective of HRSA and its collaboration with the American Academy of Pediatrics (AAP). Genetic diseases gained recognition in public health with the … Address correspondence to Peter C. van Dyck, MD, MPH, FAAP, Associate Administrator, Maternal and Child Health Bureau, 5600 Fishers Lane, Room 18-05, Rockville, MD 20857. E-mail: pvandyck{at}hrsa.gov
From Watt’s Steam Engine to the Unified Quantum Theory of Mechanics and Thermodynamics

Thermodynamics is the science that deals with all the phenomena that involve the transfer of energy, i.e. heat and work. Its development started in 1824 with the efforts of Sadi Carnot to improve the closed-cycle steam engine discovered by James Watt in 1764. In 1850, R. Clausius laid the foundations of the laws of thermodynamics. Soon thereafter a conflict between the second law of Thermodynamics and the laws of mechanics was pointed out by Maxwell in 1871 and was illustrated clearly by what has come to be known as Maxwell’s demon. This conflict was addressed by Brillouin (1949) based on the work of Szilard (1929) and of many others. They all claimed that although the objective state of a system is fully describable by mechanics, classical or quantum, and evolves according to the laws of mechanics, some states of the system as perceived by an observer are subjective and reflect the lack of information the observer has about the actual mechanical state of the system. This point of view is, in effect, the information-theory interpretation of thermodynamics which, currently, is widely accepted. The central point of this paper is to describe the reasons why the information-theory interpretation of thermodynamics is contrary to physical reality. It shows that a logically viable hypothesis which reconciles mechanics with thermodynamics is the existence in nature of physical states that have objective uncertainties broader than those implied in quantum theory as it is traditionally formulated. The consequences of this hypothesis are presented in the Unified Quantum Theory of Mechanics and Thermodynamics, by Hatsopoulos and Gyftopoulos. An initial version of this paper was published in July of 2006 in the proceedings of ECOS’06, Aghia Pelagia, Crete, Greece.
Effects of clock frequency stability on digital microwave radiometer performance

[1] A new generation of digital microwave radiometer back ends replaces conventional analog square-law detectors with a high-speed digital signal processing (DSP) stage to enhance their performance. The enhancements can include frequency subbanding for improved spectral resolution and mitigation of radio frequency interference, complex cross-correlation of orthogonally polarized signals for full Stokes polarimetry, and high-order moment (kurtosis) detection for improved radio frequency interference detectability. In each of these cases, the quality of the performance enhancement can be degraded by the nonideal realization of the desired DSP algorithm. In particular, instability in the master clock, which times the cadence of the DSP stage, can affect the performance. Analytical expressions are developed to model critical radiometer performance criteria as functions of the clock frequency stability. Experimental results are presented to validate the expressions. These results can be used to derive clock frequency stability requirements for future digital microwave radiometers.
Usage of differential absorption method in the thermal IR: A case study of quick estimate of clear-sky column water vapor

Abstract The concept of differential absorption has been widely used in UV and shortwave remote sensing. This study explores how to extend such concept to the thermal-IR for fast estimation of the total column water vapor (CWV) from clear-sky IR radiances. Using Atmospheric Infrared Sounder (AIRS) radiances as a case study, double difference of radiances at two pairs of pre-selected AIRS channels can be used to suppress the influence of continuum absorption and to highlight contrasts due to weak water vapor line absorptions. To take emission into account, another two AIRS channels are used as surrogates of surface temperature and lapse rate in the lower troposphere. As a result, a three-dimensional look-up table (LUT) can be constructed based on training data sets. Such LUT enables us a fast estimate of CWV directly from the spectral radiances without any a prior information or formal retrieval. The performance of the method is tested using synthetic AIRS radiances based on reanalysis as well as actual sounding profiles. It is also tested against AIRS L2 cloud-cleared radiances and CWV retrievals. The comparisons show that the mean bias of this method is within ±0.07 cm and the root-mean-square fractional error is about 33%.