bluuebunny/crossref_metadata_2025_split huggingface dataset:
Statistical Uncertainty in the Frequency Dependence of the Intensity Scintillation Index (S4)
Authors: Sun Andrew K. , Pi Xiaoqing , Rino Charles , Lee Jiyun 
Published: June 2023

AbstractThe intensity scintillation index (S4) exhibits a linear frequency dependence derived from a power law phase screen model, with the exponent determined by the phase spectral index (p). However, it is well known that a departure from linearity occurs as S4 increases and saturates under strong scatter conditions. Additionally, statistical errors over a finite time window can also cause the scintillation statistic to deviate from the power law dependence on frequency. This paper presents a parametric analysis on the deviation in the S4 frequency dependence from the power law form. This investigation focuses on the contribution of statistical uncertainty in S4 calculations to the deviation in the frequency dependence according to the selected parameters: S4 and Fresnel frequency (fF). The deviation is determined by comparing p estimates calculated from the power law relationship of S4 at different L‐band frequencies with those inferred from a model‐fitting method using a multi‐frequency global navigation satellite system scintillation data set. The results show the well‐known departure from linearity as S4 increases, and reveal increasing deviations with decreasing fF. The spectral analysis indicates that the variability at the lowest frequencies of intensity spectra contributes to the statistical errors in S4 calculations due to the finite time window, particularly when scintillations are dominated by low‐frequency contributions at low fF. Simulation results of scintillation realizations show much lower deviations with a 30‐min compared to 1‐min window. This suggests a 1‐min window can be too short for reliable S4 calculations due to statistical uncertainty, especially at low fF.
Understanding the mechanism of action and clinical effects of neuroactive steroids and GABAergic compounds in major depressive disorder
Authors: Cutler Andrew J. , Mattingly Gregory W. , Maletic Vladimir 
Published: June 2023

AbstractThe pathophysiology of major depressive disorder (MDD) is thought to result from impaired connectivity between key brain networks. Gamma-aminobutyric acid (GABA) is the key inhibitory neurotransmitter in the brain, working primarily via GABAAreceptors, with an important role in virtually all physiologic functions in the brain. Some neuroactive steroids (NASs) are positive allosteric modulators (PAMs) of GABAAreceptors and potentiate phasic and tonic inhibitory responses via activation of synaptic and extrasynaptic GABAAreceptors, respectively. This review first discusses preclinical and clinical data that support the association of depression with diverse defects in the GABAergic system of neurotransmission. Decreased levels of GABA and NASs have been observed in adults with depression compared with healthy controls, while treatment with antidepressants normalized the altered levels of GABA and NASs. Second, as there has been intense interest in treatment approaches for depression that target dysregulated GABAergic neurotransmission, we discuss NASs approved or currently in clinical development for the treatment of depression. Brexanolone, an intravenous NAS and a GABAAreceptor PAM, is approved by the U.S. Food and Drug Administration for the treatment of postpartum depression (PPD) in patients 15 years and older. Other NASs include zuranolone, an investigational oral GABAAreceptor PAM, and PH10, which acts on nasal chemosensory receptors; clinical data to date have shown improvement in depressive symptoms with these investigational NASs in adults with MDD or PPD. Finally, the review discusses how NAS GABAAreceptor PAMs may potentially address the unmet need for novel and effective treatments with rapid and sustained antidepressant effects in patients with MDD.
Border-associated macrophages mediate the neuroinflammatory response in an alpha-synuclein model of Parkinson disease
Authors: Schonhoff A. M. , Figge D. A. , Williams G. P. , Jurkuvenaite A. , Gallups N. J. , Childers G. M. , Webster J. M. , Standaert D. G. , Goldman J. E. , Harms A. S. 
Published: June 2023

AbstractDopaminergic cell loss due to the accumulation of α-syn is a core feature of the pathogenesis of Parkinson disease. Neuroinflammation specifically induced by α-synuclein has been shown to exacerbate neurodegeneration, yet the role of central nervous system (CNS) resident macrophages in this process remains unclear. We found that a specific subset of CNS resident macrophages, border-associated macrophages (BAMs), play an essential role in mediating α-synuclein related neuroinflammation due to their unique role as the antigen presenting cells necessary to initiate a CD4 T cell response whereas the loss of MHCII antigen presentation on microglia had no effect on neuroinflammation. Furthermore, α-synuclein expression led to an expansion in border-associated macrophage numbers and a unique damage-associated activation state. Through a combinatorial approach of single-cell RNA sequencing and depletion experiments, we found that border-associated macrophages played an essential role in immune cell recruitment, infiltration, and antigen presentation. Furthermore, border-associated macrophages were identified in post-mortem PD brain in close proximity to T cells. These results point to a role for border-associated macrophages in mediating the pathogenesis of Parkinson disease through their role in the orchestration of the α-synuclein-mediated neuroinflammatory response.
Post-synthetic modification of covalent organic frameworks for CO2 electroreduction
Authors: Liu Minghao , Yang Shuai , Yang Xiubei , Cui Cheng-Xing , Liu Guojuan , Li Xuewen , He Jun , Chen George Zheng , Xu Qing , Zeng Gaofeng 
Published: June 2023

AbstractTo achieve high-efficiency catalysts for CO2reduction reaction, various catalytic metal centres and linker molecules have been assembled into covalent organic frameworks. The amine-linkages enhance the binding ability of CO2molecules, and the ionic frameworks enable to improve the electronic conductivity and the charge transfer along the frameworks. However, directly synthesis of covalent organic frameworks with amine-linkages and ionic frameworks is hardly achieved due to the electrostatic repulsion and predicament for the strength of the linkage. Herein, we demonstrate covalent organic frameworks for CO2reduction reaction by modulating the linkers and linkages of the template covalent organic framework to build the correlation between the catalytic performance and the structures of covalent organic frameworks. Through the double modifications, the CO2binding ability and the electronic states are well tuned, resulting in controllable activity and selectivity for CO2reduction reaction. Notably, the dual-functional covalent organic framework achieves high selectivity with a maximum CO Faradaic efficiency of 97.32% and the turnover frequencies value of 9922.68 h−1, which are higher than those of the base covalent organic framework and the single-modified covalent organic frameworks. Moreover, the theoretical calculations further reveal that the higher activity is attributed to the easier formation of immediate *CO from COOH*. This study provides insights into developing covalent organic frameworks for CO2reduction reaction.
Sparse representation for machine learning the properties of defects in 2D materials
Authors: Kazeev Nikita , Al-Maeeni Abdalaziz Rashid , Romanov Ignat , Faleev Maxim , Lukin Ruslan , Tormasov Alexander , Castro Neto A. H. , Novoselov Kostya S. , Huang Pengru , Ustyuzhanin Andrey 
Published: June 2023

AbstractTwo-dimensional materials offer a promising platform for the next generation of (opto-) electronic devices and other high technology applications. One of the most exciting characteristics of 2D crystals is the ability to tune their properties via controllable introduction of defects. However, the search space for such structures is enormous, and ab-initio computations prohibitively expensive. We propose a machine learning approach for rapid estimation of the properties of 2D material given the lattice structure and defect configuration. The method suggests a way to represent configuration of 2D materials with defects that allows a neural network to train quickly and accurately. We compare our methodology with the state-of-the-art approaches and demonstrate at least 3.7 times energy prediction error drop. Also, our approach is an order of magnitude more resource-efficient than its contenders both for the training and inference part.
Machine-learning driven global optimization of surface adsorbate geometries
Authors: Jung Hyunwook , Sauerland Lena , Stocker Sina , Reuter Karsten , Margraf Johannes T. 
Published: June 2023

AbstractThe adsorption energies of molecular adsorbates on catalyst surfaces are key descriptors in computational catalysis research. For the relatively large reaction intermediates frequently encountered, e.g., in syngas conversion, a multitude of possible binding motifs leads to complex potential energy surfaces (PES), however. This implies that finding the optimal structure is a difficult global optimization problem, which leads to significant uncertainty about the stability of many intermediates. To tackle this issue, we present a global optimization protocol for surface adsorbate geometries which trains a surrogate machine learning potential on-the-fly. The approach is applicable to arbitrary surface models and adsorbates and minimizes both human intervention and the number of required DFT calculations by iteratively updating the training set with configurations explored by the algorithm. We demonstrate the efficiency of this approach for a diverse set of adsorbates on the Rh(111) and (211) surfaces.
High-throughput screening of zwitterion-based coatings towards improved mechanical stability and drug-loading capacity
Authors: Yang Jingzhi , Ran Yami , Huang Luyao , Ren Chenhao , Hao Xiangping , Ma Lingwei , Zhang Dawei 
Published: June 2023

Abstract2-hydroxyethyl methacrylate (HEMA), poly(ethylene glycol) (PEG), and zwitterionic polymers are currently considered the most extensively studied antifouling hydrogel coatings. However, systematic identification of these coatings to unleash their potential properties is tremendously under-represented. Here, we report a high-throughput optimizing strategy that combines highly miniaturized hydrogel synthesis and screening to fine design zwitterion-based hydrogel coatings. Compared with the traditional one-by-one synthesis and characterization methods, the proposed high-throughput strategy accelerated the discovery of candidate materials with a high-efficiency and cost-effective approach. To tailor multiple parameters of coatings, 1575 unique coating combinations with continuous gradients were prepared only required 600 μL reactant. The mechanical stability and drug-loading capacity of the coating spots were sequentially evaluated via immersion swelling, flow, tape-peeling, and dye-retaining tests. This strategy could efficiently reveal the composition/structure-function relationships of the hydrogel coatings and also other materials, which is promising for the rapid screening and design of desired implantable device surfaces.
Posterior scleral birefringence measured by triple-input polarization-sensitive imaging as a biomarker of myopia progression
Authors: Liu Xinyu , Jiang Liqin , Ke Mengyuan , Sigal Ian A. , Chua Jacqueline , Hoang Quan V. , Chia Audrey WI. , Najjar Raymond P. , Tan Bingyao , Cheong Jocelyn , Bellemo Valentina , Chong Rachel S. , Girard Michaël J. A. , Ang Marcus , Liu Mengyang , Garhöfer Gerhard , Barathi Veluchamy A. , Saw Seang-Mei , Villiger Martin , Schmetterer Leopold 
Published: June 2023

AbstractIn myopic eyes, pathological remodelling of collagen in the posterior sclera has mostly been observed ex vivo. Here we report the development of triple-input polarization-sensitive optical coherence tomography (OCT) for measuring posterior scleral birefringence. In guinea pigs and humans, the technique offers superior imaging sensitivities and accuracies than dual-input polarization-sensitive OCT. In 8-week-long studies with young guinea pigs, scleral birefringence was positively correlated with spherical equivalent refractive errors and predicted the onset of myopia. In a cross-sectional study involving adult individuals, scleral birefringence was associated with myopia status and negatively correlated with refractive errors. Triple-input polarization-sensitive OCT may help establish posterior scleral birefringence as a non-invasive biomarker for assessing the progression of myopia.
Co-electrolysis of seawater and carbon dioxide inside a microfluidic reactor to synthesize speciality organics
Authors: Rarotra Saptak , Singh Amit Kumar , Mandal Tapas Kumar , Bandyopadhyay Dipankar 
Published: June 2023

AbstractWe report co-electrolysis of seawater and carbon dioxide (CO2) gas in a solar cell-integrated membraneless microfluidic reactor for continuous synthesis of organic products. The microfluidic reactor was fabricated using polydimethylsiloxane substrate comprising of a central microchannel with a pair of inlets for injection of CO2 gas and seawater and an outlet for removal of organic products. A pair of copper electrodes were inserted into microchannel to ensure its direct interaction with incoming CO2 gas and seawater as they pass into the microchannel. The coupling of solar cell panels with electrodes generated a high-intensity electrical field across the electrodes at low voltage, which facilitated the co-electrolysis of CO2 and seawater. The paired electrolysis of CO2 gas and seawater produced a range of industrially important organics under influence of solar cell-mediated external electric field. The, as synthesized, organic compounds were collected downstream and identified using characterization techniques. Furthermore, the probable underlying electrochemical reaction mechanisms near the electrodes were proposed for synthesis of organic products. The inclusion of greenhouse CO2 gas as reactant, seawater as electrolyte, and solar energy as an inexpensive electric source for co-electrolysis initiation makes the microreactor a low-cost and sustainable alternative for CO2 sequestration and synthesis of organic compounds.
Early Pleistocene cut marked hominin fossil from Koobi Fora, Kenya
Authors: Pobiner Briana , Pante Michael , Keevil Trevor 
Published: June 2023

AbstractIdentification of butchery marks on hominin fossils from the early Pleistocene is rare. Our taphonomic investigation of published hominin fossils from the Turkana region of Kenya revealed likely cut marks on KNM-ER 741, a ~ 1.45 Ma proximal hominin left tibia shaft found in the Okote Member of the Koobi Fora Formation. An impression of the marks was created with dental molding material and scanned with a Nanovea white-light confocal profilometer, and the resulting 3-D models were measured and compared with an actualistic database of 898 individual tooth, butchery, and trample marks created through controlled experiments. This comparison confirms the presence of multiple ancient cut marks that are consistent with those produced experimentally. These are to our knowledge the first (and to date only) cut marks identified on an early Pleistocene postcranial hominin fossil.
Cytokine profiles in adults with imported malaria
Authors: de Roquetaillade Charles , Laouenan Cédric , Mira Jean-Paul , Roy Carine , Thuong Marie , Azoulay Élie , Gruson Didier , Jacobs Frédéric , Chommeloux Juliette , Raffi François , Hocqueloux Laurent , Imbert Patrick , Jeantils Vincent , Delassus Jean-Luc , Matheron Sophie , Fitting Catherine , Timsit Jean-François , Bruneel Fabrice 
Published: June 2023

AbstractThe increase in worldwide travel is making imported malaria a growing health concern in non-endemic countries. Most data on the pathophysiology of malaria come from endemic areas. Little is known about cytokine profiles during imported malaria. This study aimed at deciphering the relationship between cytokine host response and malaria severity among imported cases in France. This study reports cytokine profiles in adults with Plasmodium falciparum malaria included in the PALUREA prospective study conducted between 2006 and 2010. The patients were classified as having uncomplicated malaria (UM) or severe malaria (SM), with this last further categorized as very severe malaria (VSM) or less severe malaria (LSM). At hospital admission, eight blood cytokines were assayed in duplicate using Luminex® technology: interleukin (IL)-1α, IL-1β, IL-2, IL-4, IL-10, tumor necrosis factor (TNF)α, interferon (IFN)γ, and macrophage migration inhibitory factor (MIF). These assays were repeated on days 1 and 2 in the SM group. Of the 278 patients, 134 had UM and 144 SM. At hospital admission, over half the patients had undetectable levels of IL-1α, IL-1β, IL-2, IL-4, IFNγ, and TNFα, while IL-10 and MIF were significantly higher in the SM vs. the UM group. Higher IL-10 was significantly associated with higher parasitemia (R = 0.32 [0.16–0.46]; P = 0.0001). In the SM group, IL-10 elevation persisting from admission to day 2 was significantly associated with subsequent nosocomial infection. Of eight tested cytokines, only MIF and IL-10 were associated with disease severity in adults with imported P. falciparum malaria. At admission, many patients had undetectable cytokine levels, suggesting that circulating cytokine assays may not be helpful as part of the routine evaluation of adults with imported malaria. Persisting high IL-10 concentration was associated with subsequent nosocomial infection, suggesting its possible interest in immune monitoring of most severe patients.
Preparation of multifunctional hydrogels with accessible isothiouronium groups via radical cross-linking copolymerization
Authors: Grübel Jana , L. Albernaz Vanessa , Tsianaka Anastasia , Jauch Corinna O. , Quirin Silia , Kerger Christian , Kohl Christina G. , Burger-Kentischer Anke , Tovar Günter E. M. , Southan Alexander 
Published: June 2023

AbstractHydrogels can be equipped with functional groups for specific purposes. Isothiouronium groups can enhance adsorptivity, or allow coupling of other functional groups through mild reactions after transformation to thiol groups. Here we present a method to prepare multifunctional hydrogels by introducing isothiouronium groups into poly(ethylene glycol) diacrylate (PEGDA) hydrogels, and convert them into thiol-functionalized hydrogels by the reduction of the isothiouronium groups. For this purpose, the amphiphilic monomer 2-(11-(acryloyloxy)-undecyl)isothiouronium bromide (AUITB), containing an isothiouronium group, was synthesized and copolymerized with PEGDA. In this convenient way, it was possible to incorporate up to 3 wt% AUITB into the hydrogels without changing their equilibrium swelling degree. The successful functionalization was demonstrated by surface analysis of the hydrogels with water contact angle measurements and increased isoelectric points of the hydrogel surfaces from 4.5 to 9.0 due to the presence of the isothiouronium groups. The hydrogels showed a suitability as an adsorbent, as exemplified by the pronounced adsorption of the anionic drug diclofenac. The potential of the functionalization for (bio)conjugation reactions was demonstrated by the reduction of isothiouronium groups to thiols and subsequent immobilization of the functional enzyme horseradish peroxidase on the hydrogels. The results show that fully accessible isothiouronium groups can be introduced into radically cross-linked hydrogels.
Improved psychosocial measures associated with physical activity may be explained by alterations in brain-gut microbiome signatures
Authors: Guan Michelle , Dong Tien S. , Subramanyam Vishvak , Guo Yiming , Bhatt Ravi R. , Vaughan Allison , Barry Robert L. , Gupta Arpana 
Published: June 2023

AbstractObesity contributes to physical comorbidities and mental health consequences. We explored whether physical activity could influence more than metabolic regulation and result in psychological benefits through the brain-gut microbiome (BGM) system in a population with high BMI. Fecal samples were obtained for 16 s rRNA profiling and fecal metabolomics, along with psychological and physical activity questionnaires. Whole brain resting-state functional MRI was acquired, and brain connectivity metrics were calculated. Higher physical activity was significantly associated with increased connectivity in inhibitory appetite control brain regions, while lower physical activity was associated with increased emotional regulation network connections. Higher physical activity was also associated with microbiome and metabolite signatures protective towards mental health and metabolic derangements. The greater resilience and coping, and lower levels of food addiction seen with higher physical activity, may be explained by BGM system differences. These novel findings provide an emphasis on the psychological and resilience benefits of physical activity, beyond metabolic regulation and these influences seem to be related to BGM interactions.
Inflammatory biomarkers at different stages of Sarcopenia in older women
Authors: da Costa Teixeira Leonardo Augusto , Avelar Nubia Carelli Pereira , Peixoto Marco Fabrício Dias , Parentoni Adriana Netto , Santos Jousielle Marcia dos , Pereira Fabiana Souza Máximo , Danielewicz Ana Lúcia , Leopoldino Amanda Aparecida Oliveira , Costa Sabrina Paula , Arrieiro Arthur Nascimento , Soares Luana Aparecida , da Silva Lage Vanessa Kelly , Prates Ana Caroline Negreiro , Taiar Redha , de Carvalho Bastone Alessandra , Oliveira Vinicius Cunha de , Oliveira Murilo Xavier , Costa Henrique Silveira , Nobre Juliana Nogueira Pontes , Brant Franciane Pereira , Duarte Tamiris Campos , Figueiredo Pedro Henrique Scheidt , Mendonça Vanessa Amaral , Lacerda Ana Cristina Rodrigues 
Published: June 2023

AbstractIn recent years, studies have found that Sarcopenia alters inflammatory biomarkers. However, the behavior of inflammatory biomarkers at different stages of Sarcopenia is not well understood. This study aimed to compare a broad panel of inflammatory biomarkers in older women at different stages of Sarcopenia. The study included 71 Brazilian community-dwelling older women. Muscle Strength was assessed by using handgrip strength (Jamar dynamometer). The Short Physical Performance Battery (SPPB) was performed to assess the physical performance, and body composition was assessed by DEXA. Sarcopenia was diagnosed and classified according to the EWGSOP2 criteria. Blood was drawn, and inflammatory biomarkers associated with Sarcopenia (IL-2, IL-4, IL-5, IL-6, IL-8, IL-10, TNF, adiponectin, leptin, resistin, BDNF, sTNFr-1 and sTNFr-2) was analysed. After diagnosis and classification of sarcopenia, 45% of women did not present Sarcopenia (NS, N = 32), 23.9% were diagnosed with Sarcopenia Probable (SP, N = 17), 19,7% with Sarcopenia Confirmed (SC, N = 14), and 11.3% with Severe Sarcopenia (SS, N = 8). The analysis of inflammatory biomarkers revealed that the more advanced the stage of Sarcopenia, the higher the levels of BDNF, IL-8, sTNFr-1, and sTNFr-2. The assessment of BDNF, IL-8, sTNFr-1, and sTNFr-2 levels may be an adjuvant tool in diagnosis and severity classification of Sarcopenia in older Brazilian women.