bluuebunny/crossref_metadata_2025_split huggingface dataset:
Depicting the proton relay network in human aromatase: New insights into the role of the alcohol‐acid pair
Authors: Zhang Chao , Gilardi Gianfranco , Di Nardo Giovanna 
Published: August 2022

AbstractHuman aromatase is the cytochrome P450 catalyzing the conversion of androgens into estrogens in a three steps reaction essential to maintain steroid hormones balance. Here we report the capture and spectroscopic characterization of its compound I (Cpd I), the main reactive species in cytochromes P450. The typical spectroscopic transitions indicating the formation of Cpd I are detected within 0.8 s when mixing aromatase with meta‐chloroperoxybenzoic acid. The estrogen product is obtained from the same reaction mixture, demonstrating the involvement of Cpd I in aromatization reaction. Site‐directed mutagenesis is applied to the acid‐alcohol pair D309 and T310 and to R192, predicted to be part of the proton relay network. Mutants D309N and R192Q do not lead to Cpd I with an associated loss of activity, confirming that these residues are involved in proton delivery for Cpd I generation. Cpd I is captured for T310A mutant and shows 2.9‐ and 4.4‐fold faster rates of formation and decay, respectively, compared to wild‐type (WT). However, its activity is lower than the WT and a larger amount of H2O2 is produced during catalysis, indicating that T310 has an essential role in proton gating for generation of Cpd 0 and Cpd I and for their stabilization. The data provide new evidences on the role of threonine belonging to the conserved “acid‐alcohol” pair and known to be crucial for oxygen activation in cytochromes P450.
The IRIS paradox: Imaging findings in a case of PJP‐IRIS
Authors: Reddy Taryn , Bajwa Ramey , Burke Andrew 
Published: August 2022

AbstractImmune reconstitution inflammatory syndrome (IRIS) in patients with human immunodeficiency virus (HIV) and Pneumocystis jirovecii pneumonia infection reflects an exaggerated inflammatory response of the host immune system to an antigen, which is temporally related to recovery of the immune system. Clinical manifestations include fever, cough, dyspnoea and hypoxia following the commencement of antiretroviral therapy. Diagnosis is made on clinical and radiological criteria with exclusion of other infective and non‐infective causes. Unrecognized, IRIS may be associated with significant morbidity and mortality. Treatment with corticosteroids often results in prompt recovery. There is limited literature on radiological findings of Pneumocystis jirovecii pneumonia‐associated IRIS. Here we describe cross‐sectional imaging findings of PJP‐IRIS in a patient following commencement of antiretroviral therapy.
Sarcoidosis developing after COVID‐19: A case report
Authors: Somboonviboon Dujrath , Wattanathum Anan , Keorochana Narumon , Wongchansom Kittisak 
Published: August 2022

AbstractCOVID‐19 has been implicated in the development of a range of autoimmune diseases and medical consequences. Sarcoidosis is an inflammatory disease with sustained granulomatous inflammation. The possible main pathogenesis of sarcoidosis is a dysregulation between immune response and certain environmental antigens. We present a case of sarcoidosis as an interesting sequela of COVID‐19. The patient was hospitalized due to SARS‐CoV‐2 without complication. Ten weeks after the illness, his chest computed tomography (CT) showed bilateral hilar, paratracheal and subcarinal lymph node enlargement. Endobronchial ultrasound with transbronchial needle aspiration (EBUS‐TBNA) was performed; pathologic findings were that of well‐formed non‐necrotizing granulomas. Complete eye examination reported panuveitis and papillitis in both eyes. On the basis of these findings, sarcoidosis was diagnosed. Therefore, sarcoidosis developing after COVID‐19 was suggested as a possible link between the viral infection and dysregulation of the inflammation process. However, further studies are needed to confirm this association.
Robust hybrid observer design based on reconstructability conditions for piecewise linear systems
Authors: Mera Manuel , Bejarano Francisco Javier 
Published: August 2022

ABSTRACTIn this article, a robust hybrid observer is proposed to estimate the state of piecewise linear systems (PWL) that fulfill the reconstructability conditions. The design of this observer uses a high order sliding mode differentiator and is based on the reconstructability conditions for the discrete state of PWL systems. Additionally, the design takes into account the case when the differentiator output does not converge exactly to the actual derivatives of the system output. This could be due to the system output being affected by unknown but bounded perturbations or the differentiator being implemented on a digital device. The applicability of the results is illustrated by a numerical example.
Improved Charge Separation and Injection Efficiencies of Bismuth Vanadate Photoanode by Depositing Composite CoOx/CuO Cocatalyst
Authors: Hu Yingfei , Hu Qingyuan , Zhong Qian , Guan Hangmin , Hao Lingyun , Wang Yuanyuan , Zhang Wenyan , Du Hongxiu , Tian Wenjie 
Published: August 2022

AbstractExploring cheap and efficient cocatalysts is particularly important for a photoanode during photoelectrochemical (PEC) water splitting. Herein, we demonstrate that composite CoOx/CuO cocatalyst could efficiently enhance the oxygen evolution activity of BiVO4. The onset potential of BiVO4 shifts negatively from 0.42 to 0.38 V vs. the reversible hydrogen electrode (RHE), and the photocurrent of BiVO4 increases from 0.42 mA cm−2 to 1.58 mA cm−2 at 1.23 V vs. RHE, which increases by about 3.76 times. It was confirmed by subsequent electrochemical and physical characterization that the charge separation and injection efficiency were improved, and the IPCE was also improved. Systematic studies indicate that composite CoOx/CuO cocatalyst exhibits better performance than the single CoOx or CuO cocatalyst for promoting the separation of electron‐hole, and accelerating the surface water oxidation reaction.
Experimental Selection of Bases for Colloidal Gold‐Polymer Composite Catalyst in Homocoupling Reactions
Authors: Hou Jian , Egemole Franklin O. , Eyimegwu Faith M. , Yun Jaehan , Jang Wongi , Byun Hongsik , Kim Jun‐Hyun 
Published: August 2022

AbstractThis work describes the empirical screening of base types and amounts on the catalytic property of gold‐polymer composite particles in the aerobic homocoupling of arylboronic acid. As these particles notably improve the yields of biaryl in the presence of bases, various bases and their amounts are systematically tested to experimentally identify an ideal base that can provide high reactivity and recyclability of the composite particles in mild and green conditions. Interestingly, the following conditions ‐ soluble strong bases at sub‐stoichiometric quantities (0.5 eq.) and insoluble weak bases at excess amounts (3.0 eq.) in EtOH ‐ significantly enhance the catalytic activities of the composite particles. Upon screening two ideal bases, overall catalytic properties of the composite particles including reaction rate at three different temperatures, activation energy (51–52 kJ/mole), and recyclability (7 cycles) were compared. Understanding the effect of bases and fine‐tuning reaction conditions can potentially improve overall reactivity and recyclability of the composite particles as a green quasi‐homogenous catalyst.
A Study on Sulfonylation of Cyanohydrins with α‐Functionalized Sulfonyl Chlorides
Authors: Dobrydnev Alexey V. , Vashchenko Bohdan V. , Popova Maria V. , Volovenko Yulian M. 
Published: August 2022

AbstractHerein we describe the reaction of cyanohydrins with α‐functionalized sulfonyl chlorides and discuss the reactivity of target α‐functionalized β‐enamino γ‐sultones. Depending on electron‐withdrawing activity of α‐functionality of given sulfonyl chlorides the reaction with cyanohydrins either accomplished in one‐pot manner (tandem sulfonylation–CSIC reaction) affording β‐enamino γ‐sultones (α‐functionality=CO2Me, CN, p‐C6H4‐CO2Me) or resulted in sulfonylated cyanohydrins, which can be converted into target β‐enamino γ‐sultones through the t‐BuOK‐mediated CSIC reaction (α‐functionality=Ph). The nature of α‐functionality drastically affects the reactivity of α‐functionalized β‐enamino γ‐sultones. Specifically, α‐CO2Me and α‐CN β‐enamino γ‐sultones are less reactive toward electrophiles and tolerate the nucleophiles. This is the consequence of high degree of conjugation between amino group and EWG within the sultone framework. At the same time, α‐aryl β‐enamino γ‐sultones possess significantly lower degree of conjugation (due to steric hindrance between aryl core and sultone framework) and therefore retain reactivity of the enamine fragment.
Mono‐Acetylenes as New Crosslinkers for All‐Carbon Living Charge Carbon Nanotubide Organogels
Authors: Bayazit Mustafa Kemal , Yau Hin Chun , Leese Hannah , Lee Won Jun , Shaffer Milo S. P. 
Published: August 2022

AbstractNanomaterials, such as single‐walled carbon nanotubes (SWCNTs) and graphenes, can be readily gelled using bi‐ or multi‐functional reagents as crosslinkers. This study reports a new reaction of monofunctional acetylenes with negatively charged SWCNTs (nanotubides), prepared by reduction. Mono‐acetylenes (e. g. phenylacetylene (PAc) and diphenyl acetylene (DiPAc)) are introduced as crosslinkers to form all‐carbon SWCNT organogels at room temperature. The resulting isolated SWCNT aerogels have a density of ∼4.5–5.5 mg cm−3. Raman spectroscopy and thermogravimetric analysis suggest a covalent surface modification (∼1 functional group per 110 (PAc) and 712 (DiPAc) SWCNT carbon atoms). Significantly, the acetylene reaction does not consume all available negative charges. The SWCNT organogel is still reactive after crosslinking and can reduce a stable gold complex, chloro(triphenylphosphine)gold (I), to form AuNPs (∼12–14 nm), suggesting the formation of a living nanotubide organogel intermediate, suitable for a range of secondary reactions. Mono‐acetylenes can crosslink other negatively charged molecular systems, and surface decoration of the aerogels with other metal NPs is anticipated.
Incentivizing STEM participation: Evidence from the SMART Grant Program
Authors: Blume‐Kohout Margaret E. , Scott Jacob P. 
Published: August 2022

AbstractThe U.S. National Science and Mathematics Access to Retain Talent (SMART) Grant program provided up to $8000 to high‐achieving, low‐income undergraduates majoring in STEM fields. We evaluate the effects of this financial incentive on college graduates' major fields and subsequent STEM workforce retention using nationally‐representative survey data and a difference‐in‐differences quasi‐experimental approach. The SMART Grant program significantly increased the probability that first‐generation college graduates majored in STEM, by about 7 percentage points. However, this increase is almost entirely offset by affected STEM graduates' significantly lower STEM workforce retention. These program effects also appear to be concentrated among students whose parents had some college experience rather than those who were first in their families to attend college.
A new species of early Cambrian arthropod reconstructed from exceptionally preserved mandibles and associated small carbonaceous fossils (SCFs)
Authors: Harvey Thomas H. P. , Butterfield Nicholas J. 
Published: August 2022

AbstractMandibulate arthropods (myriapods, hexapods and crustaceans) account for a major component of extant animal diversity but their origins remain unclear. Here, we re‐examine the record of exceptionally preserved arthropodan microfossils, including mandibles, from the lower Cambrian (Stage 4) Mount Clark Formation, Northwest Territories, Canada. The assemblage comes from a single drillcore horizon and occurs as thousands of small carbonaceous fossils (SCFs) representing disarticulated body parts. The mandibles occur as isolated molar surfaces with an elongate outline, a heavy setal fringe, and a subtle right–left asymmetry. These are sufficiently distinctive to diagnose a new genus and species of arthropod, Masticaris fimbriata. Co‐occurring SCFs include diverse appendage lobes and ventral body fragments, along with spines and setae assignable to 53 morphological categories and occurring either singly or in arrays, including filter plates. Most are plausibly interpreted as belonging to the feeding apparatus of M. fimbriata. The mandibles and filter plates correspond to those in extant pancrustaceans, particularly branchiopods, although the mouthparts of some more basal Cambrian arthropods raise the possibility of convergent feeding adaptations. Overall, anatomical and taphonomic continuity with younger SCFs suggests that M. fimbriata belongs to an early pancrustacean radiation that is still largely cryptic in the fossil record. More generally, the assemblage provides an inventory of fine‐scale cuticular specializations in early Cambrian arthropods that prefigure the trophic versatility and ecological dominance of crustaceans in the modern marine fauna.
Immunomodulation in age‐related disorders and nanotechnology interventions
Authors: Chintapula Uday , Chikate Tanmayee , Sahoo Deepsundar , Kieu Amie , Guerrero Rodriguez Ingrid D. , Nguyen Kytai T. , Trott Daniel 
Published: August 2022

AbstractRecently, the aging population has increased exponentially around the globe bringing more challenges to improve quality of life in those populations while reducing the economic burden on healthcare systems. Aging is associated with changes in the immune system culminating in detrimental effects such as immune dysfunction, immunosenescence, and chronic inflammation. Age‐related decline of immune functions is associated with various pathologies including cardiovascular, autoimmune, neurodegenerative, and infectious diseases to name a few. Conventional treatment addresses the onset of age‐related diseases by early detection of risk factors, administration of vaccines as preventive care, immunomodulatory treatment, and other dietary supplements. However, these approaches often come with systemic side‐effects, low bioavailability of therapeutic agents, and poor outcomes seen in the elderly. Recent innovations in nanotechnology have led to the development of novel biomaterials/nanomaterials, which explore targeted drug delivery and immunomodulatory interactions in vivo. Current nanotechnology‐based immunomodulatory approaches that have the potential to be used as therapeutic interventions for some prominent age‐related diseases are discussed here. Finally, we explore challenges and future aspects of nanotechnology in the treatments of age‐related disorders to improve quality of life in the elderly.This article is categorized under:
Therapeutic Approaches and Drug Discovery > Nanomedicine for Cardiovascular Disease
Therapeutic Approaches and Drug Discovery > Nanomedicine for Neurological Disease
Therapeutic Approaches and Drug Discovery > Emerging Technologies
Associated production of heavy Higgs bosons with a $$ \mathrm{b}\overline{\mathrm{b}} $$ pair in the nonholomorphic MSSM and LHC searches
Authors: Chattopadhyay Utpal , Datta AseshKrishna , Mukherjee Samadrita , Swain Abhaya Kumar 
Published: August 2022

Abstract
In the NonHolomorphic Supersymmetric Standard Model (NHSSM), the Yukawa couplings of the bottom quark (yb) and the tau lepton (yτ) might receive substantial supersymmetric (SUSY) radiative corrections which have prominent dependencies on the NHSSM-specific trilinear soft parameters, $$ {A}_b^{\prime } $$

A
b
′

and $$ {A}_{\tau}^{\prime } $$

A
τ
′

, respectively, in addition to their well-known dependence on tan β as is already present in the Minimal SUSY Standard Model (MSSM). We study to what extent these could affect the production cross sections of the heavy Higgs bosons (H and A) in association with a pair of b-quarks and their decay branching ratios, in particular, to a $$ \tau \overline{\tau} $$
τ

τ
¯

pair and compare them with those obtained in the MSSM. Requiring compliance with the recently observed upper bounds on the product of their total cross section and the branching ratio to $$ \tau \overline{\tau} $$
τ

τ
¯

at the 13 TeV run of the Large Hadron Collider (LHC), with data worth 139 fb−1, results in an altered exclusion region in the customary mA− tan β plane in the framework of the NHSSM when compared to what is derived by the LHC experiments within an MSSM setup. Such alterations are estimated to be pronounced only for large tan β (≥ 40) and for large, negative $$ {A}_b^{\prime } $$

A
b
′

when one finds a reinforced exclusion of the mA − tan β plane with an excluded mA value larger by ≈ 200 GeV, compared to the MSSM case, at tan β = 60. On the other hand, the maximum relaxation in mA, for a similarly large but positive $$ {A}_b^{\prime } $$

A
b
′

, barely exceeds ≈ 100 GeV as a result of complementary variations in production cross sections and decay branching fractions of the heavy, neutral Higgs bosons.
Portraying double Higgs at the Large Hadron Collider II
Authors: Huang Li , Kang Su-beom , Kim Jeong Han , Kong Kyoungchul , Pi Jun Seung 
Published: August 2022

Abstract
The Higgs potential is vital to understand the electroweak symmetry breaking mechanism, and probing the Higgs self-interaction is arguably one of the most important physics targets at current and upcoming collider experiments. In particular, the triple Higgs coupling may be accessible at the HL-LHC by combining results in multiple channels, which motivates to study all possible decay modes for the double Higgs production. In this paper, we revisit the double Higgs production at the HL-LHC in the final state with two b-tagged jets, two leptons and missing transverse momentum. We focus on the performance of various neural network architectures with different input features: low-level (four momenta), high-level (kinematic variables) and image-based. We find it possible to bring a modest increase in the signal sensitivity over existing results via careful optimization of machine learning algorithms making a full use of novel kinematic variables.
Polyakov model in ’t Hooft flux background: a quantum mechanical reduction with memory
Authors: Pazarbaşı Cihan , Ünsal Mithat 
Published: August 2022

Abstract
We construct a compactification of Polyakov model on T2 × ℝ down to quantum mechanics which remembers non-perturbative aspects of field theory even at an arbitrarily small area. Standard compactification on small T2 × ℝ possesses a unique perturbative vacuum (zero magnetic flux state), separated parametrically from higher flux states, and the instanton effects do not survive in the Born-Oppenheimer approximation. By turning on a background magnetic GNO flux in co-weight lattice corresponding to a non-zero ’t Hooft flux, we show that N-degenerate vacua appear at small torus, and there are N − 1 types of flux changing instantons between them. We construct QM instantons starting with QFT instantons using the method of replicas. For example, SU(2) gauge theory with flux reduces to the double-well potential where each well is a fractional flux state. Despite the absence of a mixed anomaly, the vacuum structure of QFT and the one of QM are continuously connected. We also compare the quantum mechanical reduction of the Polyakov model with the deformed Yang-Mills, by coupling both theories to TQFTs. In particular, we compare the mass spectrum for dual photons and energy spectrum in the QM limit. We give a detailed description of critical points at infinity in the semi-classical expansion, and their role in resurgence structure.
Systems spatiotemporal dynamics of traumatic brain injury at single-cell resolution reveals humanin as a therapeutic target
Authors: Arneson Douglas , Zhang Guanglin , Ahn In Sook , Ying Zhe , Diamante Graciel , Cely Ingrid , Palafox-Sanchez Victoria , Gomez-Pinilla Fernando , Yang Xia 
Published: August 2022

AbstractBackgroundThe etiology of mild traumatic brain injury (mTBI) remains elusive due to the tissue and cellular heterogeneity of the affected brain regions that underlie cognitive impairments and subsequent neurological disorders. This complexity is further exacerbated by disrupted circuits within and between cell populations across brain regions and the periphery, which occur at different timescales and in spatial domains.MethodsWe profiled three tissues (hippocampus, frontal cortex, and blood leukocytes) at the acute (24-h) and subacute (7-day) phases of mTBI at single-cell resolution.ResultsWe demonstrated that the coordinated gene expression patterns across cell types were disrupted and re-organized by TBI at different timescales with distinct regional and cellular patterns. Gene expression-based network modeling implied astrocytes as a key regulator of the cell–cell coordination following mTBI in both hippocampus and frontal cortex across timepoints, andmt-Rnr2, which encodes the mitochondrial peptide humanin, as a potential target for intervention based on its broad regional and dynamic dysregulation following mTBI. Treatment of a murine mTBI model with humanin reversed cognitive impairment caused by mTBI through the restoration of metabolic pathways within astrocytes.ConclusionsOur results offer a systems-level understanding of the dynamic and spatial regulation of gene programs by mTBI and pinpoint key target genes, pathways, and cell circuits that are amenable to therapeutics.
Numerical tripping of high-speed turbulent boundary layers
Authors: Ceci Alessandro , Palumbo Andrea , Larsson Johan , Pirozzoli Sergio 
Published: August 2022

Abstract
The influence of turbulence inflow generation on direct numerical simulations (DNS) of high-speed turbulent boundary layers at Mach numbers of 2 and 5.84 is investigated. Two main classes of inflow conditions are considered, based on the recycling/rescaling (RR) and the digital filtering (DF) approach, along with suitably modified versions. A series of DNS using very long streamwise domains is first carried out to provide reliable data for the subsequent investigation. A set of diagnostic parameters is then selected to verify achievement of an equilibrium state, and correlation laws for those quantities are obtained based on benchmark cases. Simulations using shorter domains, with extent comparable with that used in the current literature, are then carried out and compared with the benchmark data. Significant deviations from equilibrium conditions are found, to a different extent for the various flow properties, and depending on the inflow turbulence seeding. We find that the RR method yields superior performance in the evaluation of the inner-scaled wall pressure fluctuations and the turbulent shear stress. DF methods instead yield quicker adjustment and better accuracy in the prediction of wall friction and of the streamwise Reynolds stress in supersonic cases. Unrealistically high values of the wall pressure variance are obtained by the baseline DF method, while the proposed DF alternatives recover a closer agreement with respect to the benchmark. The hypersonic test case highlights that similar distribution of wall friction and heat transfer are obtained by both RR and DF baseline methods.

Graphical abstract