bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neuropsychiatric Drugs Against COVID-19: What is the Clinical
Evidence?
Authors: Mueller Juliane K. , Riederer Peter , Müller Walter E. 
Published: January 2022

AbstractSince the beginning of the coronavirus disease (COVID)-19 pandemic, the need for
effective treatments for COVID-19 led to the idea of
“repurposing” drugs for antiviral treatment. Several
antipsychotics and antidepressants have been tested for in vitro activity
against the severe acute respiratory syndrome coronavirus 2. Chlorpromazine,
other phenothiazine antipsychotics, and the antidepressant fluoxetine were found
to be rather potent in these studies. However, whether effective plasma
concentrations can be obtained with clinically accepted doses of these drugs is
not clear. Data of COVID-19 patients are not yet available but several clinical
studies are currently underway.The specific serotonin reuptake inhibitor fluvoxamine is a potent Sigma-1
receptor agonist and reduces inflammation in animal models of cytokine-stress.
Accordingly, fluvoxamine treatment was superior to placebo in reducing impaired
respiratory function and other symptoms of inflammation in COVID-19 patients in
a placebo-controlled clinical study and another open clinical trial. The
beneficial effects of fluvoxamine on the course of COVID-19 were recently
confirmed in a large placebo-controlled double-blind trial with several hundred
patients.Inflammation represents a major risk factor for many psychiatric disorders which
explains the high susceptibilitiy of COVID-19 patients for psychiatric diseases.
Many antidepressants and antipsychotics possess anti-inflammatory properties
independent of sigma-1 activity which might be important to reduce psychiatric
symptoms of COVID-19 patients and to improve respiratory dysfunction and other
consequences of inflammation. This might explain the rather unspecific benefit
which has been reported for several cohorts of COVID-19 patients treated with
different psychotropic drugs.
Development of Heterocyclic Multicomponent Reactions through Guided Exploration: Direct, Reasonable and Unpredictable Processes
Authors: Lavilla Rodolfo , Ghashghaei Ouldouz , Rodríguez Pau Nadal 
Published: January 2022

AbstractThis Account summarizes the research of the group on the multicomponent reactions arena with fundamental heterocycles as substrates, using mechanistic considerations to hypothesize new processes and to rationalize results. Biomedical applications of the ensuing adducts were also envisaged, which brought about interesting discoveries.1	Introduction and Context2	The Beginnings: Unexplored Heterocyclic Substrates3	Interrupted Processes4	Multiple Multicomponent Reactions: Problem of Selectivity5	Extended Multicomponent Reactions6	Conclusions and Wishes
Total Synthesis of the Proposed Structure of Tyloindane and Its Diastereoisomer
Authors: Wang Qingmin , Su Bo , Zhang Hui 
Published: January 2022

AbstractIt is intriguing that tyloindane, which was isolated together with phenanthroindolizidine alkaloids, contains no nitrogen atom. Attracted by its unique structure and uncovered biological activity, we synthesized the proposed structure of tyloindane and its diastereoisomer. To achieve this goal, several strategies that include an aryl/alkene oxidative coupling, radical cyclization, and intramolecular Parham alkylation, were explored. The 1H NMR data of the synthesized compounds do not match those of the isolated sample (tyloindane), indicating that the structure of tyloindane should be reassigned.
A General Way to Spiro-Annulated 2-Benzoxepines via Rh2(esp)2-Catalyzed [5+2] Cycloaddition of Diazo Arylidene Succinimides to Ketones
Authors: Krasavin Mikhail , Dar’in Dmitry , Vepreva Anastasia , Kantin Grigory 
Published: January 2022

AbstractThe formation of spirocyclic 2-benzoxepines by Rh2(esp)2-catalyzed decomposition of diazo arylidene succinimides in the presence of ketones was investigated. This transformation, which is a formal [5+2] cycloaddition of styryl rhodium carbenes to the carbonyl group, occurs in high yields under mild conditions, with high carbonyl substrate tolerance and diastereoselectivity. The developed general method opens access to rare spiro (hetero)cyclic scaffolds with great potential in drug discovery.
Ring-Expansion Metathesis Polymerization Initiator Design for the Synthesis of Cyclic Polymers
Authors: Golder Matthew R. , Morrison Christine M. 
Published: January 2022

AbstractCyclic polymers are of increasing interest to the synthetic and physical polymer communities due to their unique structures that lack chain ends. This topological distinction results in decreased chain entanglement, lower intrinsic viscosity, and smaller hydrodynamic radii. Many methods for the production of cyclic polymers exist, however, large-scale production of architecturally pure cyclic polymers is challenging. Ring-expansion metathesis polymerization (REMP) is an increasingly promising method to produce cyclic polymers because of the mild and scalable reaction conditions. Herein, a brief history of REMP for the synthesis of cyclic polymers with both ruthenium and non-ruthenium initiators is discussed. Even though REMP is a promising method for synthesizing cyclic polymers, state-of-the-art methods still struggle with poor molar mass control, slow polymerization rates, low conversion, and poor initiator stability. To combat these challenges, our group has developed a tethered ruthenium-benzylidene initiator, CB6, which utilizes design features from ubiquitous Grubbs-type initiators used in linear polymerizations. These structural modifications are shown to improve initiator kinetics, enhance initiator stability, and increase control over the molar mass of the resulting cyclic polymers.1	Introduction2	Ring-Expansion Metathesis Polymerization (REMP) with Ruthenium Initiators3	New Developments in Ruthenium Ring-Expansion Metathesis (REMP) Initiator Design4	Ring-Expansion Metathesis Polymerization (REMP) with Non-Ruthenium Initiators5	Conclusions
Covid-19-Related Acute Invasive Fungal Sinusitis: Clinical Features and Outcomes
Authors: Abdelsamie Alaa Mohamed , Abdelazim Hossam Mohamed , Elnems Mohamed Goda , Abdelhakam Rehab Bassam , Abdelalim Abdelrahman Ahmed 
Published: January 2022

Abstract
Introduction There is a noticeable increase in the incidence of acute invasive fungal sinusitis which coincides with the ongoing coronavirus pandemic. It is a potentially-lethal fungal infection, with the most common form being the rhino-orbito-cerebral presentation.
Objectives The aim of the present study is to discuss the different epidemiological factors, risk factors, clinical presentations and outcomes of acute invasive fungal sinusitis which is noticeably related to the coronavirus disease 2019 (Covid-19) pandemic.
Methods The present cross-sectional cohort study included 22 adult patients who presented with Covid-19-related acute invasive fungal sinusitis. The diagnosis of acute invasive fungal sinusitis was confirmed by histopathological biopsy. All data, including demographics, risk factors, clinical findings, different lines of treatment and their outcomes, were recorded and analyzed.
Results All patients had diabetes mellitus (100%), and 17 (77.3%) had been submitted to systemic steroids. All patients (100%) had unilateral sinonasal disease. Proptosis was found in 15 patients (68.2%), ophthalmoplegia was observed in 12 patients (54.5%), and intracranial affection occurred in 10 patients (45.5%). A total of 20 patients (90.9%) received liposomal amphotericin B. Surgical debridement was performed in 18 patients (45.5%). Non-septated mycelia was present in 19 biopsies (86.4%), while 3 (13.6%)showed septated mycelia. Total improvement was achieved in 10 patients (45.5%), while the mortality rate was of 27.3% (6 out of 22 participants).
Conclusion Diabetes mellitus is the most common preexisting medical condition associated with Covid-19-related acute invasive fungal sinusitis. Systemic corticosteroid therapy is considered a predisposing factor. It is necessary to raise the level of awareness to diagnose this condition, especially in patients with Covid-19 infection or those who have recently recovered from it.
ENT Manifestations in Patients Suffering from COVID-19: Study from a COVID Hospital in North India
Authors: Srivastava Anitya , Agarwal Ashish Chandra , Alam Syed Zeeshan 
Published: January 2022

Abstract
Introduction COVID-19 has been one of the worst pandemics faced by the human civilization, and otorhinolaryngological manifestations are commonly seen in this disease.
Objective The present study was done to profile the ear, nose, and throat (ENT) manifestations in patients diagnosed with COVID-19. An attempt has also been made to assess whether there was any difference between the symptoms of different strains of COVID-19. A brief review of the current knowledge of the transmission of the disease and its treatment has also been done.
Methods A cross-sectional, record-based study was conducted in a COVID hospital of India between May and July 2020. Descriptive statistics were used and appropriate parametric/nonparametric tests were applied to assess the association between various variables.
Results Out of 250 patients, 80 cases were asymptomatic and 170 were symptomatic. Most of the symptomatic patients had sore throat and nasal congestion.
Conclusion Knowledge of the ENT manifestations of COVID-19 is essential for its early identification and to devise appropriate prevention protocols for the benefit of health care workers (HCWs) and of the general population.
Clinical Characteristics of a Zoonotic Occupational Disease—Brucella endocarditis with Review of Literature
Authors: Anilet Vasanth Kataria , Tammiraju Iragavarapu , Koduri Meena 
Published: January 2022

Abstract

Background Brucellosis is a zoonotic bacterial infection caused by a gram-negative aerobic coccobacillus. It can have varied presentation. Most severe complications include neurological and cardiovascular involvement (most commonly in the form of infective endocarditis). Aortic valve is most commonly involved (75%). Blood culture is highly specific, while serologic tests are more sensitive for diagnosing brucellosis. Transthoracic and transesophageal echocardiography plays a major role in diagnosing infective endocarditis. Treatment of Brucella endocarditis includes combination of antibiotic therapy and surgical valve replacement. We are presenting here a case series of seven cases of B. endocarditis with different presentations and varied underlying cardiac conditions.

Materials and Methods Total seven cases of B. endocarditis were reported. The age group ranges from 22 to 45 years. Majority of them were from agriculture and dairy industry. All have presented with fever and three patients had severe breathlessness. Three cases were rheumatic valve diseases, one was bicuspid aortic valve, and one was congenital heart disease with prosthetic valve. Six patients had native valve endocarditis (four had predisposing cardiac condition with diseased valves, two had normal valves), whereas one had prosthetic valve endocarditis. Four had aortic valve involvement and three had mitral involvement. All cases were diagnosed using blood culture, serology, and echocardiography.

Conclusion All were treated initially with antibiotics and valve replacement was done in five cases. Mortality was the outcome in two cases on conservative treatment and before surgery. Other five patients recovered after surgery.
Does the growth of military hard power back up the growth of monetary soft power via data-driven probabilistic optimal relations?
Authors: Chen Ray-Ming 
Published: January 2022

AbstractThe research of how economic growth and military expenses affect each other could be found in the literature, but a comprehensive quantitative study of the degree of interaction between military expenses and money currency is not fully investigated. In this study, we borrow the concepts of hard power and soft power and quantify these concepts by associating military hard power with military expenses over GDP and monetary soft power with growth rate of exchange rate over growth rate of broad money from 1961 to 2019. We study the causal relation between these two powers by mathematical and statistical approaches. We keep track of the time-series of Hausdorff distances between their empirical optimal relations and absolute linear relations and analyse their stability. The absolute linear relations serve as the benchmark for measuring the causality between military hard power and monetary soft power, while the empirical optimal relations reveal their actual interaction. Our result shows there is a clear causal relation that military hard power backs up monetary soft power, but not the other way around. This indicates that proper military spending over GDP would stabilise and promote the currency value of a country.
The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F−, Br−, I−, Rb+, and Cs+
Authors: Blazquez S. , Conde M. M. , Abascal J. L. F. , Vega C. 
Published: January 2022

In this work, an extension of the Madrid-2019 force field is presented. We have added the cations Rb+ and Cs+ and the anions F−, Br−, and I−. These ions were the remaining alkaline and halogen ions, not previously considered in the Madrid-2019 force field. The force field, denoted as Madrid-2019-Extended, does not include polarizability and uses the TIP4P/2005 model of water and scaled charges for the ions. A charge of ±0.85e is assigned to monovalent ions. The force field developed provides an accurate description of aqueous solution densities over a wide range of concentrations up to the solubility limit of each salt studied. Good predictions of viscosity and diffusion coefficients are obtained for concentrations below 2 m. Structural properties obtained with this force field are also in reasonable agreement with the experiment. The number of contact ion pairs has been controlled to be low so as to avoid precipitation of the system at concentrations close to the experimental solubility limit. A comprehensive comparison of the performance for aqueous solutions of alkaline halides of force fields of electrolytes using scaled and integer charges is now possible. This comparison will help in the future to learn about the benefits and limitations of the use of scaled charges to describe electrolyte solutions.
Immunomagnetic microscopy of tumor tissues using quantum sensors in diamond
Authors: Chen Sanyou , Li Wanhe , Zheng Xiaohu , Yu Pei , Wang Pengfei , Sun Ziting , Xu Yao , Jiao Defeng , Ye Xiangyu , Cai Mingcheng , Shen Mengze , Wang Mengqi , Zhang Qi , Kong Fei , Wang Ya , He Jie , Wei Haiming , Shi Fazhan , Du Jiangfeng 
Published: January 2022

Significance
Understanding cancer’s biomarker, microenvironment, and heterogeneity at the tissue level promises to improve cancer biology and clinical diagnosis and treatment. Many histological imaging techniques have been developed for this purpose. In this study, benefiting from the development of quantum sensing with nitrogen-vacancy (NV) centers in diamond, we proposed and experimentally realized micrometer-resolution magnetic imaging of tumor tissues in an NV-diamond magnetic microscope, magnetically imaging and quantifying cancer biomarkers. Moreover, we achieved the correlated magnetic and optical imaging in the same tissue section. The histological magnetometry exhibits excellent signal stability, negligible magnetic background, and accurate magnetic quantification. Our method thus opens the door to micrometer-resolution magnetic imaging of biological tissues and has the potential to influence research and histopathology of cancer.
Introduction to spectral line shape theory
Authors: Gomez T A , Nagayama T , Cho P B , Kilcrease D P , Fontes C J , Zammit M C 
Published: January 2022

Abstract
Spectral line-shape models are an important part of understanding high-energy-density (HED) plasmas. Models are needed for calculating opacity of materials and can serve as diagnostics for astrophysical and laboratory plasmas. However, much of the literature on line shapes is directed toward specialists. This perspective makes it difficult for non-specialists to enter the field. We have two broad goals with this topical review. First, we aim to give information so that others in HED physics may better understand the current field. This first goal may help guide future experiments to test different aspects of the theory. Second, we provide an introduction for those who might be interested in line-shape theory, and enough materials to be able to navigate the field and the literature. We give a high-level overview of line broadening process, as well as dive into the formalism, available methods, and approximations.
Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon
Authors: White Alexander J , Collins Lee A , Nichols Katarina , Hu S X 
Published: January 2022

Abstract
Warm dense matter (WDM) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM is often created dynamically. It is typically laser or pulse-power generated and can be difficult to characterize experimentally. Measuring the energy loss of high energy ions, caused by a WDM target, is both a promising diagnostic and of fundamental importance to inertial confinement fusion research. However, electron coupling, degeneracy, and quantum effects limit the accuracy of easily calculable kinetic models for stopping power, while high temperatures make the traditional tools of condensed matter, e.g. time-dependent density functional theory (TD-DFT), often intractable. We have developed a mixed stochastic-deterministic approach to TD-DFT which provides more efficient computation while maintaining the required precision for model discrimination. Recently, this approach showed significant improvement compared to models when compared to experimental energy loss measurements in WDM carbon. Here, we describe this approach and demonstrate its application to warm dense carbon stopping across a range of projectile velocities. We compare direct stopping-power calculation to approaches based on combining homogeneous electron gas response with bound electrons, with parameters extracted from our TD-DFT calculations.
Quantum transport and potential of topological states for thermoelectricity in Bi2Te3 thin films
Authors: Ngabonziza Prosper 
Published: January 2022

Abstract
This paper reviews recent developments in quantum transport and it presents current efforts to explore the contribution of topological insulator boundary states to thermoelectricity in Bi2Te3 thin films. Although Bi2Te3 has been used as a thermoelectric material for many years, it is only recently that thin films of this material have been synthesized as 3D topological insulators with interesting physics and potential applications related to topologically protected surface states. A major bottleneck in Bi2Te3 thin films has been eliminating its bulk conductivity while increasing its crystal quality. The ability to grow epitaxial films with high crystal quality and to fabricate sophisticated Bi2Te3-based devices is attractive for implementing a variety of topological quantum devices and exploring the potential of topological states to improve thermoelectric properties. Special emphasis is laid on preparing low-defect-density Bi2Te3 epitaxial films, gate-tuning of normal-state transport and Josephson supercurrent in topological insulator/superconductor hybrid devices. Prospective quantum transport experiments on Bi2Te3 thin-film devices are discussed as well. Finally, an overview of current progress on the contribution of topological insulator boundary states to thermoelectricity is presented. Future explorations to reveal the potential of topological states for improving thermoelectric properties of Bi2Te3 films and realizing high-performance thermoelectric devices are discussed.
First-principles study on CO oxidation on CuO(111) surface prefers the Eley−Rideal or Langmuir−Hinshelwood pathway
Authors: Lin Long , Shi Pei , Yao Linwei , Xie Kun , Tao Hualong , Zhang Zhanying , Wang Yanfang 
Published: January 2022

Abstract
Using the first-principles approach, we investigated the electronic and chemical properties of cupric oxide CuO (110) and CuO (111) and substantiated their catalytic activity toward CO oxidation. It is found that CuO (111) surface is more stable than the CuO (110) surface. We firstly study that adsorption of CO and O2 on perfect, oxygen vacancies and Cu-anchored CuO (111) surface. It is found that adsorption of CO and O2 molecules are chemical. Then we selected the most stable adsorption structure of CO/O2 to investigated the CO oxidation mechanism on different surface, here we choose to study the Langmuir–Hinshelwood (LH) mechanism and Eley–Rideal (ER) mechanism. The results show that perfect and Ovacancy CuO (111) surface is more inclined to LH mechanism, while the Cu-anchored CuO (111) surface is more inclined to ER mechanism. The results show that CuO catalyst is very effective for CO oxidation. Our work provides a deep understanding for the search of economical and reasonable CO oxidation catalysts.
Appearance of Keplerian discs orbiting on both sides of reflection-symmetric wormholes
Authors: Schee Jan , Stuchlík Zdeněk 
Published: January 2022

Abstract
We construct optical appearance and profiled spectral lines of Keplerian discs with inner edge at the innermost circular geodesic located on both sides of reflection-symmetric Simpson-Visser wormholes, in dependence on their parameter and inclination angle of distant observers. We demonstrate significant differences in appearance of the discs on the our side and the other side of the Simpson-Visser wormholes. Large part of the other-side disc is always in dark region of the image of the disc orbiting on the our side, enabling thus a simple distinguishing in observations. The profiled spectral lines generated by the disc on the other side (our side) demonstrate strong (weak) dependence on the spacetime parameter, and weak (strong) dependence on the inclination angle; they have also different shape, giving thus other clues to clearly distinguish in observations reflection-symmetric wormholes as alternatives to black holes.