bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assimilation of surface‐sensitive bands' clear‐sky radiance data using retrieved surface temperatures from geostationary satellites
Authors: Okabe Izumi , Okamoto Kozo 
Published: April 2023

AbstractClear‐sky radiances (CSRs) derived from observations made by imager sensors on board geostationary satellites are widely used in most operational numerical weather prediction systems. CSRs have data on tropospheric water vapour and temperatures, and the products at water vapour bands are generally assimilated into global data assimilation systems. In another band, known as the CO2 band (13.3–13.4 μm), CSRs are not used widely yet, despite having a wealth of information about temperatures in the mid‐ and low troposphere. This is mainly because of the high surface sensitivity of this band, which makes it difficult to accurately simulate brightness temperatures when there are non‐negligible errors in the surface parameters in the models. This article quantitatively investigated the surface sensitivities of CO2 and water vapour bands, which have the sensitivity under dry atmospheric conditions, and developed retrieval of land surface temperature (LST) from window band CSRs to obtain a more accurate simulated brightness temperature. Additionally, it was discovered that the retrieved LST outperformed that from the model in short‐range forecasts for the low‐water‐vapour band (7.3 μm) CSR data assimilation, and throughout the forecasting period, especially in the tropics, for the CO2 band CSR data assimilation. We also examined an unexpected improvement in the low troposphere in the model's LST trials, and we concluded that it was related to the relationship between the LST and atmospheric temperature biases.
Interleukin‐6 inhibitory effect of natural product naringenin compared to a synthesised monoclonal antibody against life‐threatening COVID‐19
Authors: AmeliMojarad Melika , AmeliMojarad Mandana 
Published: April 2023

AbstractCoronavirus Disease 2019 (COVID‐19) has become a global pandemic in 2020 with high patient mortality due to acute respiratory distress syndrome which is possibly induced by a Cytokine release syndrome and more specifically through an interleukin‐6 (IL‐6) booster. Currently, IL‐6/IL‐6R inhibitors indicated an effective function in reducing the inflammatory markers in severe COVID‐19 patients. In this comprehensively narrative review, we searched online academic databases including (Google Scholar, Web of Science, and Pub Med), the relevant literature was extracted from the databases by using search terms of COVID‐19, IL‐6, and IL6 inhibitor as free‐text words and also with the combination with OR/AND to summarise the latest discoveries on the inhibitors of IL‐6 and its receptor's especially focussing on the role of natural product, Naringin (NAR) as a flavonoid found in citrus fruits, with considerable anti‐inflammatory and antiviral properties in COVID‐19 treatments. Our data Therefore in comparison with other synthetic monoclonal antibodies NAR may provide a good qualification for the development of novel anti‐inflammatory agents, especially against Covid 19 based on recent studies.
Epstein‐Barr virus regulates the life cycle and host cell biology by hijacking post‐translational modification
Authors: Zhang Xing , Zhang Yan , Liu Wen , Luo Bing 
Published: April 2023

AbstractProtein post‐translational modifications (PTMs) are reversible processes that regulate the function of target proteins without altering their sequences. High‐throughput sequencing surveys have provided insights into the patterns of PTMs, such as ubiquitination, SUMOylation, and phosphorylation. After primary infection, the Epstein‐Barr virus (EBV), a ubiquitous herpesvirus, establishes a life‐long latent infection. EBV can establish a delicate balance to regulate its proliferation and host cell survival. Owing to the limited gene products of EBV, interfering with the host PTM machinery is an effective way to alter host immune responses and physiological status and establish infection. In this review, we focus on the current knowledge of the mechanisms by which EBV products manipulate host ubiquitination, SUMOylation, and phosphorylation to establish a latent infection or favour viral replication and pathogenesis.
Proopiomelanocortin (POMC) and Psychodermatology
Authors: Millington George W. M. , Palmer Hannah E. 
Published: April 2023

Abstract
Psychodermatology is the crossover discipline between Dermatology and Clinical Psychology and/or Psychiatry. It encompasses both Psychiatric diseases that present with cutaneous manifestations (such as delusional infestation) or more commonly, the psychiatric or psychological problems associated with skin disease, such as depression associated with psoriasis. These problems may be the result either of imbalance in or be the consequence of alteration in the homoeostatic endocrine mechanisms found in the systemic hypothalamic-pituitary-adrenal axis or in the local cutaneous corticotrophin-releasing factor-proopiomelanocortin-corticosteroid axis. Alteration in either of these systems can lead to immune disruption and worsening of immune dermatoses and vice-versa. These include diseases such as psoriasis, atopic eczema, acne, alopecia areata, vitiligo and melasma, all of which are known to be linked to stress. Similarly, stress and illnesses such as depression are linked with many immunodermatoses and may reflect alterations in the body's central and peripheral neuroendocrine stress pathways. It is important to consider issues pertaining to skin of colour, particularly with pigmentary disorders.
A Toddler with Systemic Contact Dermatitis Caused by Diabetes Devices
Authors: Lyngstadaas Anne Viktoria , Holm Jan-Øivind , Krogvold Lars , Måløy Anne Karin , Ingvaldsen Christoffer Aam 
Published: April 2023

Abstract
Continuous glucose monitors (CGM) and insulin pumps have become the preferred treatment option for most young children and adolescents with type 1 diabetes (T1D), by avoiding fingerstick testing and providing real-time glucose measurements. These medical devices and their adhesives contain substances which have been identified as being responsible for allergic contact dermatitis. We describe the case of a toddler who developed severe contact dermatitis from her diabetes devices, leading to secondary infections and hospital admissions. This was followed by the development of a symmetrical exanthema with retroauricular and glutaeal distribution. Patch tests were positive for isobornyl acrylate (IBOA) and 4-tert-butylcatechol (PTBC). Her symmetrical exanthema was interpreted as systemic contact dermatitis due to IBOA and PTBC in her diabetes devices. We suspect that systemic contact dermatitis is an underreported complication in diabetic patients.
Catalyst‐Free Hydrogenolysis of Lignin β‐O‐4 Ketone Models with Water as an H‐transfer Reagent
Authors: Ma Yanjin , Wang Haijun , Li Minghao , Ren Yun‐Lai 
Published: April 2023

AbstractIt was found that lignin β‐O‐4 ketone models could undergo smoothly the hydrogenolysis via light‐induced water‐donating transfer hydrogenation, which provides an example of using inexpensive and eco‐friendly water as the H‐transfer reagent to enable hydrogenolysis of lignin β‐O‐4 ketone models under catalyst‐free condition. Preliminary mechanistic investigations suggest that the mechanistic pathway involves the formation of acetophenone radicals.
Synthesis and Exploration of New Imidazo[4,5‐c]Pyrazoles as Potent α‐Amylase Inhibitors
Authors: Nabil Shabaan Sara , Saleh Alshehri Fawzia , Fadel AL‐Rasheed Jinan , El‐Sebaey Samiha A. , Husseiny Ebtehal M. 
Published: April 2023

AbstractTo identify new leads of small molecules as α‐amylase inhibitors, the current research is focused on the assessment of imidazopyrazoles. Hence, a set of novel imidazo[4,5‐c]pyrazoles was synthesized via simple versatile straightforward synthetic routes and was estimated for their in vitro α‐amylase inhibition activity. The findings revealed that diphenylaminomethyl and phenylcarbamodithioate derivatives elicited potent α‐amylase inhibition activities with IC50 values of 0.071 and 0.083 μM, respectively that were comparable to acarbose (IC50 0.060 μM). Molecular docking and in silico studies were performed for the most active derivatives and demonstrated that docked compounds have good binding affinities toward α‐amylase with binding free energies that are very similar to that of acarbose. Furthermore, these compounds demonstrated not only significant biological activity but also noteworthy physicochemical properties, drug‐likeness, and good pharmacokinetics. As a result, such compounds offered a robust opportunity for further development and optimization of the imidazopyrazole scaffold for the potential management of Type II Diabetes Mellitus.
The Mechanism of Growing MoS2 via Sulfuration of Molybdenum Hexacarbonyl: First principles study
Authors: Yang Ming‐Zhe , Wang Qi‐Bo , Xu Qin‐Qin , Yin Jian‐Zhong 
Published: April 2023

AbstractTransition metal dichalcogenides (TMDCs) films are potential two‐dimensional materials for next‐generation optoelectronic and electronic devices. Chemical Vapor Deposition, Atomic Layer Deposition, and Metal‐Organic Chemical Vapor Deposition are usually used for the synthesis of the MoS2 films by taking Mo(CO)6 as precursors. However, the mechanism of adsorption and reaction of Mo(CO)6 on the substrate at the molecular level are hardly to know only by the experiments. In this study, the detailed reactions of Mo(CO)6 on α‐Al2O3(0001) are investigated by density functional theory to demonstrate the growth mechanism of MoS2. It is found that, Mo(CO)6 could form a stable chemical bond with the Al‐1 site on the surface, which has large adsorption energy and charge transfer. The decomposition of Mo(CO)6 into Mo(CO)3 exists in a clear order, with the top carbonyl composing firstly, follow by the two parallel carbonyls. In order to determine the stable model of Mo(CO)3, adsorption energy and DOS are analyzed. The Ead is −5.65 eV and the 4d5 s orbitals of Mo atom overlap with the 2 s2p orbitals of O atom, indicating the new chemical bond is forming in 3O‐Al‐2 model. Finally, the LST/QST (Linear Synchronous Transit/Quadratic Synchronous Transit) method is used to search for transition states of Mo(CO)3 sulfuration reactions with CH3S2CH3, H2S, and S2 respectively. This paper provides a theoretical basis for the experimental preparation of MoS2 and provides research ideas for the general synthesis of TMDCs.
Quinolines: Privileged Scaffolds for Developing New Anti‐neurodegenerative Agents
Authors: Chauhan M.Sc.Shivani , Umar Tarana , Aulakh Manpreet K. 
Published: April 2023

AbstractThe burden of neurodegenerative diseases is emerging with the increase in life expectancy. It is a great challenge to develop effective methods of preventing these diseases and to treat them. Quinoline and its derivatives have numerous biological effects. They show significant anti‐neurodegenerative activity. Quinoline compounds are used to develop various anti‐neurodegenerative drugs as they have demonstrated fantastic effects through numerous mechanisms of action. A lot of quinoline compounds have been studied till now for their anti‐neurodegenerative properties. Quinoline scaffold among all heterocyclic compounds has emerged as a critical building block for the production of a variety of novel medications. Many heterocyclic substituent quinoline derivatives with good anti‐neurodegenerative activity are discussed in this review. Such as PBT2 that has shown potential to reduce cerebrospinal fluid Aβ, and improve cognitive functions, quinoline‐chromenone and acridine‐chromenone hybrids that act as anti AChE agents. Further molecules like coumarin‐quinoline derivatives, 1,2,3,4‐tetrahydroquinoline‐2,3,4‐trione 3‐oximes and Clioquinol has been discussed as a possible anti‐Neurodegeneration medication. The efficacy of quinoline derivatives to cure neurodegenerative diseases and save the central nervous system in early stage has nurtured the interest of researchers to increase the search in this area.
C−N and C−C Bond Formation in Annulation and Aromatization through Metal‐Catalyzed Photoredox C−H Functionalization
Authors: Patel Parth , Patel Dixita , Chikhalia Kishor 
Published: April 2023

AbstractThe construction of heterocyclic nucleus by enabling photoredox C−H functionalization is an efficient, resurgence, and astonishing evolution for many different scientific disciplines. Recent research has shown interest in photolytically activated radical species, which involve the generation of an annulative or aromatic nucleus by triggering C−H bond cleavage. Single‐electron‐transfer (SET) events between substrates and a metal photocatalyst are eye‐catching synthesis under visible light irradiation. The approach functions without the need for substrate preactivation by employing reductive or oxidative quenching cycles to initiate SET. When a single electron is added at a deficiency, causes electron circulation, which results in cascade radical cyclization. They are found to be a prevalent, powerful, and reliable technique for the modern synthesis of valuable molecular entities. In current review photoredox catalyzed distinct radical generation strategies and transformations acting through a proton coupled electron transfer (PCET), C−H functionalization to form carbon‐carbon and carbon‐nitrogen atom bond are discussed.
Identification of Potential Electrolyte Additives via Density Functional Theory Analysis
Authors: Hu Yanyan , Yang Xiaolong , Lv Ying , Yao Chengyu , Liu Xin , Huang Bo , Liu Tao , Yu Haizhu 
Published: April 2023

AbstractWith the ongoing progress in updating electrode materials and electrolyte components, the performance of lithium‐ion batteries (LIBs) has been greatly improved in the past decades. Specifically, density functional theory (DFT) calculations have emerged as a convenient and reliable strategy, especially to comprehend the origin for the improved electrochemical performances induced by certain reagent. Herein, DFT calculations have been utilized to analyze the plausibility of electrolyte additives for six groups of heterocyclic molecules (including N‐, O‐, S‐, N,O‐, S,N/O‐containing cyclic structures, and other cyclic ones, with 110 molecules in total). VC was used as the reference, as we aim to develop the additives with higher reductivity and high‐voltage stability etc. than that of VC. With the filter of LUMO, HOMO, HOMO‐LUMO gap, and Li+ binding energies, 6 molecules were finally screened out. The synthesis of one sulfate‐containing structure (i. e. 85) and its improved electrochemical performance of LIBs supports the theoretical prediction.
Metal‐Free Synthesis of Pyrimidine and Naphthoquinone‐Fused Pyrroles from Arylglyoxal‐Based Domino Reactions
Authors: Panday Anoop Kumar , Ali Danish , Parvin Tasneem , Choudhury Lokman H. 
Published: April 2023

AbstractHerein we report acid mediated two and three‐component domino reactions of cyclic enamines such as 2‐amino‐1,4‐naphthoquinone, and 6‐amino‐1,3‐dimethyluracil with arylglyoxals for the synthesis of diverse fused pyrroles. The two‐component reaction of arylglyoxal and 2‐amino‐1,4‐naphthoquinone in the acetic acid medium provided substituted naphthoquinone‐fused pyrroles tethered with hydroxyl and aryl substituents. On the other hand, under similar reaction conditions, the reaction of phenylglyoxal with 6‐amino‐1,3‐dimethyluracil provided an unusual bipyrrolopyrimidine with a quaternary carbon center following a domino reaction involving the formation of five new sigma bonds in one‐pot. Interestingly, the reaction of arylglyoxals with 6‐amino‐1,3‐dimethyluracil in ethanol medium in the presence of 10‐mol% PTSA provided a three‐component product having pyrimidine fused pyrrole linked with 6‐aminouracil moiety. We have also developed a three‐component reaction of 2‐amino‐1,4‐naphthoquinone, arylglyoxals, and 4‐hydroxy‐1‐methylquinolin‐2(1H)‐one for the synthesis of naphthoquinone‐fused pyrroles linked with hydroxyquinoline derivatives.
Recent Advances of Michael/hetero‐Michael Addition Reaction in the Synthesis of 3‐Nitro‐2H‐chromene Derivatives
Authors: Das Tapaswini , Mohapatra Seetaram , Pradhan Asit Kumar , Nayak Sabita 
Published: April 2023

Abstract3‐Nitro‐2H‐chromene and derivatives are the significant structural building blocks of many natural products and pharmacologically active compounds. So, great deals of effort have been made for the development and improvement of 3‐nitro‐2H‐chromene functionalized scaffolds by utilizing different methodologies. Among the various strategies, Michael/hetero‐Michael addition reactions to 3‐nitro‐2H‐chromene have been established as the most vibrant and unique research area for the construction of diverse C−C and C−X (X=heteroatoms) bonds providing versatile 2H‐chromene frameworks. In recent years, a broad range of efficient Michael donors has been explored extensively which motivates the scientific community to work on these useful 2H‐chromene frameworks in presence of different bases, transition metals, organocatalysts, and base/catalyst‐free conditions. Considering the importance of this research field, the present review highlights the major advancements of Michael/hetero‐Michael addition reaction to 3‐nitro‐2H‐chromenes utilizing various Michael donors from the year 2010 to 2022 in a comprehensive manner.
Synthesis, Structures and Antifungal Activity of Selenoglycolurils
Authors: Galochkin Anton A. , Baranov Vladimir V. , Hansford Karl A. , Friberg Louise I. M. , Strel'tzova Elena D. , Lipatov Egor S. , Nelyubina Yulia V. , Kravchenko Angelina N. 
Published: April 2023

AbstractA synthetic method for the preparation of selenoglycolurils is reported. Target compounds were obtained by two‐stage transformation of unsubstituted, 1‐substituted and 1,3‐disubstituted thioglycolurils by S‐methylation with MeI to the corresponding isothiouronium salts (Step 1) followed by selenation with NaHSe generated in situ from grey Se and NaBH4 (Step 2). Selenoglycolurils possessed potent antifungal activity against Candida albicans and Cryptococcus neoformans (MIC 0.25–0.125 μg/mL) with no discernable toxicity against mamallian cells, supporting the unique role of organoselenium compounds as novel antifungal agents.
Interstitial Hydrogen Atom to Boost Intrinsic Catalytic Activity of Tungsten Oxide for Hydrogen Evolution Reaction
Authors: Yang Jun , Cao Yifan , Zhang Shuyu , Shi Qingwen , Chen Siyu , Zhu Shengcai , Li Yunsong , Huang Jianfeng 
Published: April 2023

AbstractTungsten oxide (WO3) is an appealing electrocatalyst for the hydrogen evolution reaction (HER) owing to its cost‐effectiveness and structural adjustability. However, the WO3 electrocatalyst displays undesirable intrinsic activity for the HER, which originates from the strong hydrogen adsorption energy. Herein, for effective defect engineering, a hydrogen atom inserted into the interstitial lattice site of tungsten oxide (H0.23WO3) is proposed to enhance the catalytic activity by adjusting the surface electronic structure and weakening the hydrogen adsorption energy. Experimentally, the H0.23WO3 electrocatalyst is successfully prepared on reduced graphene oxide. It exhibits significantly improved electrocatalytic activity for HER, with a low overpotential of 33 mV to drive a current density of 10 mA cm−2 and ultra‐long catalytic stability at high‐throughput hydrogen output (200 000 s, 90 mA cm−2) in acidic media. Theoretically, density functional theory calculations indicate that strong interactions between interstitial hydrogen and lattice oxygen lower the electron density distributions of the d‐orbitals of the active tungsten (W) centers to weaken the adsorption of hydrogen intermediates on W‐sites, thereby sufficiently promoting fast desorption from the catalyst surface. This work enriches defect engineering to modulate the electron structure and provides a new pathway for the rational design of efficient catalysts for HER.
Discovering Reactant Supply Pathways at Electrode/PEM Reaction Interfaces Via a Tailored Interface‐Visible Characterization Cell
Authors: Wang Weitian , Ding Lei , Xie Zhiqiang , Yu Shule , Canfield Brian , Bender Guido , Wrubel Jacob A. , Pivovar Bryan S. , Zhang Feng‐Yuan 
Published: April 2023

AbstractIn situ and micro‐scale visualization of electrochemical reactions and multiphase transports on the interface of porous transport electrode (PTE) materials and solid polymer electrolyte (SPE) has been one of the greatest challenges for electrochemical energy conversion devices, such as proton exchange membrane electrolyzer cells (PEMECs), CO2 reduction electrolyzers, PEM fuel cells, etc. Here, an interface‐visible characterization cell (IV‐CC) is developed to in situ visualize micro‐scaled and rapid electrochemical reactions and transports in PTE/SPE interfaces. Taking the PEMEC of a green hydrogen generator as a study case, the unanticipated local gas blockage, micro water droplets, and their evolution processes are successfully visualized on PTE/PEM interfaces in a practical PEMEC device, indicating the existence of unconventional reactant supply pathways in PEMs. Further comprehensive results reveal that PEM water supplies to reaction interfaces are significantly impacted with current densities. These results provide critical insights about the reaction interface optimization and mass transport enhancement in various electrochemical energy conversion devices.
Bridging the Buried Interface with Piperazine Dihydriodide Layer for High Performance Inverted Solar Cells
Authors: Song Qi , Gong Hongkang , Sun Fulin , Li Mingxing , Zhu Ting , Zhang Chenhui , You Fangtian , He Zhiqun , Li Dan , Liang Chunjun 
Published: April 2023

AbstractGiven that it is closely related to perovskite crystallization and interfacial trap densities, buried interfacial engineering is crucial for creating effective and stable perovskite solar cells. Compared with the in‐depth studies on the defect at the top perovskite interface, exploring the defect of the buried side of perovskite film is relatively complicated and scanty owing to the non‐exposed feature. Herein, the degradation process is probed from the buried side of perovskite films with continuous illumination and its effects on morphology and photoelectronic characteristics with a facile lift‐off method. Additionally, a buffer layer of Piperazine Dihydriodide (PDI2) is inserted into the imbedded bottom interface. The PDI2 buffer layer is able to lubricate the mismatched thermal expansion between perovskite and substrate, resulting in the release of lattice strain and thus a void‐free buried interface. With the PDI2 buffer layer, the degradation originates from the growing voids and increasing non‐radiative recombination at the imbedded bottom interfaces are suppressed effectively, leading to prolonged operation lifetime of the perovskite solar cells. As a result, the power conversion efficiency of an optimized p‐i‐n inverted photovoltaic device reaches 23.47% (with certified 23.42%) and the unencapsulated devices maintain 90.27% of initial efficiency after 800 h continuous light soaking.