bluuebunny/crossref_metadata_2025_split huggingface dataset:
DNA–protein crosslink proteases in genome stability
Authors: Ruggiano Annamaria , Ramadan Kristijan 
Published: January 2021

AbstractProteins covalently attached to DNA, also known as DNA–protein crosslinks (DPCs), are common and bulky DNA lesions that interfere with DNA replication, repair, transcription and recombination. Research in the past several years indicates that cells possess dedicated enzymes, known as DPC proteases, which digest the protein component of a DPC. Interestingly, DPC proteases also play a role in proteolysis beside DPC repair, such as in degrading excess histones during DNA replication or controlling DNA replication checkpoints. Here, we discuss the importance of DPC proteases in DNA replication, genome stability and their direct link to human diseases and cancer therapy.
Structural basis of Naa20 activity towards a canonical NatB substrate
Authors: Layer Dominik , Kopp Jürgen , Fontanillo Miriam , Köhn Maja , Lapouge Karine , Sinning Irmgard 
Published: January 2021

AbstractN-terminal acetylation is one of the most common protein modifications in eukaryotes and is carried out by N-terminal acetyltransferases (NATs). It plays important roles in protein homeostasis, localization, and interactions and is linked to various human diseases. NatB, one of the major co-translationally active NATs, is composed of the catalytic subunit Naa20 and the auxiliary subunit Naa25, and acetylates about 20% of the proteome. Here we show that NatB substrate specificity and catalytic mechanism are conserved among eukaryotes, and that Naa20 alone is able to acetylate NatB substrates in vitro. We show that Naa25 increases the Naa20 substrate affinity, and identify residues important for peptide binding and acetylation activity. We present the first Naa20 crystal structure in complex with the competitive inhibitor CoA-Ac-MDEL. Our findings demonstrate how Naa20 binds its substrates in the absence of Naa25 and support prospective endeavors to derive specific NAT inhibitors for drug development.
A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes
Authors: Hibi Makoto , Fukuda Dai , Kenchu Chihiro , Nojiri Masutoshi , Hara Ryotaro , Takeuchi Michiki , Aburaya Shunsuke , Aoki Wataru , Mizutani Kimihiko , Yasohara Yoshihiko , Ueda Mitsuyoshi , Mikami Bunzo , Takahashi Satomi , Ogawa Jun 
Published: January 2021

AbstractThe high-valent iron-oxo species formed in the non-heme diiron enzymes have high oxidative reactivity and catalyze difficult chemical reactions. Although the hydroxylation of inert methyl groups is an industrially promising reaction, utilizing non-heme diiron enzymes as such a biocatalyst has been difficult. Here we show a three-component monooxygenase system for the selective terminal hydroxylation of α-aminoisobutyric acid (Aib) into α-methyl-D-serine. It consists of the hydroxylase component, AibH1H2, and the electron transfer component. Aib hydroxylation is the initial step of Aib catabolism inRhodococcus wratislaviensis C31-06, which has been fully elucidated through a proteome analysis. The crystal structure analysis revealed that AibH1H2 forms a heterotetramer of two amidohydrolase superfamily proteins, of which AibHm2 is a non-heme diiron protein and functions as a catalytic subunit. The Aib monooxygenase was demonstrated to be a promising biocatalyst that is suitable for bioprocesses in which the inert C–H bond in methyl groups need to be activated.
Bounding the resources for thermalizing many-body localized systems
Authors: Sparaciari Carlo , Goihl Marcel , Boes Paul , Eisert Jens , Ng Nelly Huei Ying 
Published: January 2021

AbstractUnderstanding under which conditions physical systems thermalize is a long-standing question in many-body physics. While generic quantum systems thermalize, there are known instances where thermalization is hindered, for example in many-body localized (MBL) systems. Here we introduce a class of stochastic collision models coupling a many-body system out of thermal equilibrium to an external heat bath. We derive upper and lower bounds on the size of the bath required to thermalize the system via such models, under certain assumptions on the Hamiltonian. We use these bounds, expressed in terms of the max-relative entropy, to characterize the robustness of MBL systems against externally-induced thermalization. Our bounds are derived within the framework of resource theories using the convex split lemma, a recent tool developed in quantum information. We apply our results to the disordered Heisenberg chain, and numerically study the robustness of its MBL phase in terms of the required bath size.
Moisture resistance in perovskite solar cells attributed to a water-splitting layer
Authors: Kim Min , Alfano Antonio , Perotto Giovanni , Serri Michele , Dengo Nicola , Mezzetti Alessandro , Gross Silvia , Prato Mirko , Salerno Marco , Rizzo Antonio , Sorrentino Roberto , Cescon Enrico , Meneghesso Gaudenzio , Di Fonzo Fabio , Petrozza Annamaria , Gatti Teresa , Lamberti Francesco 
Published: January 2021

AbstractCommercialization of lead halide perovskite-based devices is hindered by their instability towards environmental conditions. In particular, water promotes fast decomposition, leading to a drastic decrease in device performance. Integrating water-splitting active species within ancillary layers to the perovskite absorber might be a solution to this, as they could convert incoming water into oxygen and hydrogen, preserving device performance. Here, we suggest that a CuSCN nanoplatelete/p-type semiconducting polymer composite, combining hole extraction and transport properties with water oxidation activity, transforms incoming water molecules and triggers the in situ p-doping of the conjugated polymer, improving transport of photocharges. Insertion of the nanocomposite into a lead perovskite solar cell with a direct photovoltaic architecture causes stable device performance for 28 days in high-moisture conditions. Our findings demonstrate that the engineering of a hole extraction layer with possible water-splitting additives could be a viable strategy to reduce the impact of moisture in perovskite devices.
Contribution of climatic changes in mean and variability to monthly temperature and precipitation extremes
Authors: van der Wiel Karin , Bintanja Richard 
Published: January 2021

AbstractThe frequency of climate extremes will change in response to shifts in both mean climate and climate variability. These individual contributions, and thus the fundamental mechanisms behind changes in climate extremes, remain largely unknown. Here we apply the probability ratio concept in large-ensemble climate simulations to attribute changes in extreme events to either changes in mean climate or climate variability. We show that increased occurrence of monthly high-temperature events is governed by a warming mean climate. In contrast, future changes in monthly heavy-precipitation events depend to a considerable degree on trends in climate variability. Spatial variations are substantial however, highlighting the relevance of regional processes. The contributions of mean and variability to the probability ratio are largely independent of event threshold, magnitude of warming and climate model. Hence projections of temperature extremes are more robust than those of precipitation extremes, since the mean climate is better understood than climate variability.
Mechanistic understanding enables chemoselective sp3 over sp2 C–H activation in Pd-catalyzed carbonylative cyclization of amino acids
Authors: Martínez-Mingo Mario , Alonso Inés , Rodríguez Nuria , Gómez Arrayás Ramón , Carretero Juan C. 
Published: January 2021

An understanding on the factors controlling C(sp2)–H vs, C(sp3)–H selectivity in Pd-catalyzed carbonylative cyclization of γ-arylated valine derivatives has allowed to reverse the remarkable selectivity of Pd for aryl C(sp2)–H over C(sp3)–H cleavage.
Stool DNA test targeting methylated syndecan-2 (SDC2) as a noninvasive screening method for colorectal cancer
Authors: Su Wei-Chih , Kao Wei-Yu , Chang Tsung-Kun , Tsai Hsiang-Lin , Huang Ching-Wen , Chen Yen-Cheng , Li Ching-Chun , Hsieh Yi-Chien , Yeh Hsing-Jung , Chang Chun-Chao , Wang Jaw-Yuan 
Published: January 2021

Abstract
Despite the steadily increasing worldwide incidence of colorectal cancer (CRC), an effective noninvasive approach for early detection of CRC is still under investigation. The guaiac-based fecal occult blood test (FOBT) and fecal immunochemical test (FIT) have gained popularity as noninvasive CRC screening tests owing to their convenience and relatively low costs. However, the FOBT and FIT have limited sensitivity and specificity. To develop a noninvasive tool for the detection of CRC, we investigated the sensitivity, specificity, and accuracy of a stool DNA test targeting methylated syndecan-2 (SDC2), which is frequently methylated in patients with CRC. The present study enrolled 62 patients diagnosed as having stage 0-IV CRC and 76 healthy participants between July 2018 and June 2019 from two institutions. Approximately 4.5 g of stool sample was collected from each participant for detection of human methylated SDC2 gene. In total, 48 of 62 (77.4%) patients with CRC showed positive results, whereas 67 out of 76 (88.2%) healthy participants showed negative results. The area under the curve of the receiver operating characteristic curve constructed was 0.872 for discrimination between patients with CRC and healthy individuals. The present study highlights the potential of the fecal methylated SDC2 test as a noninvasive detection method for CRC screening with a relatively favorable sensitivity of 77.4%, a specificity of 88.2% and a positive predictive value of 84.2% compared with other available fecal tests. Further multicenter clinical trials comprising subjects of varied ethnicities are required to validate this test for the mass screening of patients with CRC.
Circ_0061012 contributes to IL-22-induced proliferation, migration and invasion in keratinocytes through miR-194-5p/GAB1 axis in psoriasis
Authors: He Qi , Liu Nian , Hu Feng , Shi Quan , Pi Xianming , Chen Hongxiang , Li Jiawen , Zhang Bo 
Published: January 2021

Abstract
Psoriasis is a chronic inflammation-associated skin disorder featured by excessive proliferation and abnormal differentiation of keratinocytes. Here, we intended to investigate the role of circular RNA 0061012 (circ_0061012) in psoriasis progression. The expression of circ_0061012, SLMO2-ATP5E readthrough (SLMO2-ATP5E) messenger RNA (mRNA), microRNA-194-5p (miR-194-5p) and GRB2 associated binding protein 1 (GAB1) mRNA was determined by quantitative real-time polymerase chain reaction (qRT-PCR). Cell proliferation and metastasis were analyzed by 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay and transwell assays. Western blot assay was used to measure the protein levels of Ki67, matrix metallopeptidase 9 (MMP9) and GAB1. Dual-luciferase reporter assay and RNA immune co-precipitation (RIP) assay were used to verify the interaction between miR-194-5p and circ_0061012 or GAB1. Circ_0061012 abundance was significantly enhanced in lesional skin samples from psoriasis patients than that in normal skin specimens from healthy volunteers. Interleukin-22 (IL-22) treatment increased the expression of circ_0061012 in a dose-dependent manner. Circ_0061012 silencing alleviated IL-22-induced promoting effects in the proliferation, migration and invasion of HaCaT cells. Circ_0061012 interacted with miR-194-5p, and miR-194-5p knockdown counteracted circ_0061012 silencing-mediated influences in IL-22-induced HaCaT cells. GAB1 was a target of miR-194-5p in HaCaT cells, and miR-194-5p hampered proliferation and metastasis which were induced by IL-22 partly through targeting GAB1. Circ_0061012 elevated the expression of GAB1 through sponging miR-194-5p in HaCaT cells. Circ_0061012 accelerated IL-22-induced proliferation and metastasis in HaCaT cells through enhancing GAB1 expression via sponging miR-194-5p in psoriasis.
Cyclophilin A inhibits A549 cell oxidative stress and apoptosis by modulating the PI3K/Akt/mTOR signaling pathway
Authors: Ma Zhenling , Zhang Wenwen , Wu Yaru , Zhang Menghao , Wang Lei , Wang Yihan , Wang Yi , Liu Wei 
Published: January 2021

Abstract
The excessive and inappropriate production of reactive oxygen species (ROS) can cause oxidative stress and is implicated in the pathogenesis of lung cancer. Cyclophilin A (CypA), a member of the immunophilin family, is secreted in response to ROS. To determine the role of CypA in oxidative stress injury, we investigated the role that CypA plays in human lung carcinoma (A549) cells. Here, we showed the protective effect of human recombinant CypA (hCypA) on hydrogen peroxide (H2O2)-induced oxidative damage in A549 cells, which play crucial roles in lung cancer. Our results demonstrated that hCypA substantially promoted cell viability, superoxide dismutase (SOD), glutathione (GSH), and GSH peroxidase (GSH-Px) activities, and attenuated ROS and malondialdehyde (MDA) production in H2O2-induced A549 cells. Compared with H2O2-induced A549 cells, Caspase-3 activity in hCypA-treated cells was significantly reduced. Using Western blotting, we showed that hCypA facilitated Bcl-2 expression and inhibited Bax, Caspase-3, Caspase-7, and PARP-1 expression. Furthermore, hCypA activates the PI3K/Akt/mTOR pathway in A549 cells in response to H2O2 stimulation. Additionally, peptidyl-prolyl isomerase activity was required for PI3K/Akt activation by CypA. The present study showed that CypA protected A549 cells from H2O2-induced oxidative injury and apoptosis by activating the PI3K/Akt/mTOR pathway. Thus, CypA might be a potential target for lung cancer therapy.
Die menopausale Hormontherapie aus internistisch endokrinologischer Sicht
Authors: Gärtner Roland , Albrich Werner 
Published: January 2021

Zusammenfassung
Die menopausale Hormontherapie (MHT) begann 1942 in den USA und wurde weltweit in den 1960er-Jahren wegen der sehr erfolgreichen Behandlung vegetativer und vasomotorischer Beschwerden sehr populär. Diese manifestieren sich in vielen Fällen schon prämenopausal und können über ca. 10 Jahre andauern und die Lebensqualität erheblich einschränken. Viele Frauen stellen sich in dieser perimenopausalen Lebensphase nicht primär beim Gynäkologen, sondern beim Hausarzt oder Kardiologen vor, da Blutdruckschwankungen und insbesondere die typischen nächtlichen Palpitationen Angst machen. Eine fachübergreifende Betrachtung kann unnötige diagnostische Maßnahmen bis zur invasiven Herzkatheteruntersuchung und inadäquate Therapien mit Betablockern, Antidepressiva und Sedativa vermeiden.Daneben ist es auch in der hausärztlich-internistischen Praxis wichtig, die Auswirkungen sowohl eines Hormonmangels als auch einer Hormontherapie auf innere Organerkrankungen zu kennen. Die Hormontherapie kann vorbestehende Erkrankungen positiv, negativ oder gar nicht beeinflussen. Betroffene Patientinnen erwarten zurecht eine enge Kooperation der Spezialisten – Gynäkologen, Endokrinologen und Internisten –, wenn es um die Entscheidung für oder gegen eine menopausale Hormontherapie (MHT) geht, insbesondere nach den Unsicherheiten, welche die mittlerweile revidierten Ergebnisse der WHI (women’s health initiative) -Studie hervorgerufen hatten.
Measurements of quantum dot level populations using an optical waveguide
Authors: Tsukanov A.V. 
Published: January 2021

Abstract
A scheme is proposed for measuring electron level populations in a semiconductor quantum dot embedded in a multimode waveguide. The photon transmittance of the waveguide under steady-state pumping is shown to depend on the presence of an electron in the ground state of the quantum dot. The influence of waveguide, quantum dot, and photon source parameters on the electron detection process is examined. It is shown that, even at a moderate mode Q-factor (104 to 105), the measurement contrast and signal-to-noise ratio are rather high (above 104). The feasibility of using the proposed method for probing the state of a charge qubit is discussed.
Prospects for using silicon nanoparticles fabricated by laser ablation in hyperthermia of tumours
Authors: Sokolovskaya O.I. , Zabotnov S.V. , Golovan L.A. , Kashkarov P.K. , Kurakina D.A. , Sergeeva E.A. , Kirillin M.Yu. 
Published: January 2021

AbstractThe efficiency of using silicon nanoparticles, produced by laser ablation of porous silicon in liquids, as agents for hyperthermia of tumours using laser radiation with wavelengths of 633 and 800 nm is evaluated. Using the optical parameters of the nanoparticles suspensions determined earlier by the spectrophotometry measurements, the heating of tumour tissue with embedded nanoparticles is numerically modelled. The heat transfer equation is solved by the finite element method which considers the volumetric distribution of the absorbed light power, calculated by the Monte Carlo technique, as a distributed heat source. The simulations performed indicate that embedding silicon nanoparticles with a concentration of up to 5 mg mL−1into a tumour allows its maximum temperature to be increased by 0.2–4 °C in comparison with heating the tumour without nanoparticles depending on the irradiation wavelength and intensity.
Interaction of laser radiation and complexes of gold nanoparticles linked with proteins
Authors: Zar’kov S.V. , Avetisyan Yu.A. , Yakunin A.N. , Meerovich I.G. , Fixler D. , Savitsky A.P. , Tuchin V.V. 
Published: January 2021

Abstract
The results of numerical simulation of the near-field distribution inside and in the vicinity of two types of gold nanoparticles (nanospheres and nanorods) intended for producing complexes of gold nanoparticles linked with proteins and exciting photosensitizers in the wavelength range of 532 – 770 nm are presented. Quantitative estimates of the field localisation (enhancement) are obtained depending on the type of gold nanoparticles and dimensional factors. The tendency of the red shift of the wavelength at which the maximum local field enhancement is achieved relative to the positions of the maxima of the absorption and scattering cross sections of nanoparticles and complexes is described.
ADP-ribose and analogues bound to the deMARylating macrodomain from the bat coronavirus HKU4
Authors: Hammond Robert G. , Schormann Norbert , McPherson Robert Lyle , Leung Anthony K. L. , Deivanayagam Champion C. S. , Johnson Margaret A. 
Published: January 2021

SignificanceSevere coronavirus (CoV) infections have been responsible for hundreds of deaths. Since the emergence of severely pathogenic CoVs, namely the severe acute respiratory syndrome (SARS) virus in 2003, the Middle East respiratory syndrome (MERS) virus in 2012, and the SARS-CoV-2 in 2019, no licensed vaccine or effective antiviral treatment has been developed. Bats are reservoir hosts for many human viruses, including SARS and MERS. The protein relationship between human betacoronaviruses and their bat-specific ancestors is still unknown. This work includes a detailed structure-function analysis of a bat viral macrodomain and provides key insights into features relevant in determining conserved protein functions. This information is vital to the design of macrodomain inhibitors and antiviral therapies.
Doping evolution of the Mott–Hubbard landscape in infinite-layer nickelates
Authors: Goodge Berit H. , Li Danfeng , Lee Kyuho , Osada Motoki , Wang Bai Yang , Sawatzky George A. , Hwang Harold Y. , Kourkoutis Lena F. 
Published: January 2021

Significance
Copper-based (cuprate) oxides are not only the original but also one of the best-studied families of “high-temperature” superconductors. With nominally identical crystal structure and electron count, nickel-based (nickelate) compounds have been widely pursued for decades as a possible analog to the cuprates. The recent demonstration of superconductivity in nickelate thin films has provided an experimental platform to explore the possible connections between the copper- and nickel-based superconductors. Here, we perform highly localized spectroscopic measurements to reveal a number of key differences between the two systems, particularly with regard to the hybridization between the O and metal (Cu or Ni) orbitals.
Immature HIV-1 assembles from Gag dimers leaving partial hexamers at lattice edges as potential substrates for proteolytic maturation
Authors: Tan Aaron , Pak Alexander J. , Morado Dustin R. , Voth Gregory A. , Briggs John A. G. 
Published: January 2021

Significance
HIV-1 particle assembly is driven by the viral Gag protein, which oligomerizes into a hexameric array on the inner surface of the viral envelope, forming a truncated spherical lattice containing large and small gaps. Gag is then cut by the viral protease, disassembles, and rearranges to form the mature, infectious virus. Here, we present structures and molecular dynamics simulations of the edges of the immature Gag lattice. Our analysis shows that Gag dimers are the basic assembly unit of the HIV-1 particle, lattice edges are partial hexamers, and partial hexamers are prone to structural changes allowing protease to cut Gag. These findings provide insights into assembly of the immature virus, its structure, and how it disassembles during maturation.
Effects of a training programme aimed at improving the pro-environmental competency of school children (Efectos de un programa de entrenamiento en competencias proambientales dirigido a niños escolarizados)
Authors: Ramirez-Ordoñez María-Jesús , Herrera-Mendoza Ketty-Milena , Orozco-Acosta Erick 
Published: January 2021

Bearing in mind the need to understand and analyse the psychological processes involved in pro-environmental behaviour, in order to mitigate the negative effects of the current global ecological crisis, the aim of the research presented here is to analyse the effects of a pro-environmental competency (PEC) training programme on Colombian children. To this end, a quasi-experimental design was applied to a non-probabilistic sample of 102 subjects, evenly distributed between the experimental and control groups ( Mage = 8.13; SDage = 0.496; 43.1% female and 56.9% male), applying the ECOPRO-N scale and structured quantitative observation to measure pro-environmental competency. The results showed an increase in the pro-environmental competency of the experimental group with respect to the control group, specifically in the dimensions Beliefs ( d = 0.75), Knowledge ( d = 0.91) and Motives ( d = 0.32), with the greatest effect observed in the Knowledge dimension. This verifies the effectiveness of the intervention programme in terms of fostering pro-environmental behaviours among Colombian children.
The effect of nanorod position on the plasmonic properties of the complex nanorod in nanohole arrays
Authors: Wang Yanfeng , Zhang Zhengjun , Zhao Yiping 
Published: January 2021

Abstract
By moving the nanorod (NR) from the middle toward the rim of the nanohole (NH), i.e. breaking the geometric symmetry, the extraordinary optical transmission (EOT) caused by the dipole coupling of the localized surface plasmon resonance of the NR and the NH can be tuned to redshift exponentially while maintaining the high transmission and overall dimension of the structural unit. This resonant wavelength shift depends strongly on the moving direction of the NR, i.e. whether it is along the long axis or short axis of the rod. Connecting the NR to the NH and increasing the lattice period can significantly redshift the EOT mode, allowing ultra-high transmission in the mid-infrared (MIR) region. The high local E-fields, enhanced propagating waves with a tunable visible-MIR resonance wavelength, make this structure suitable for the design of compact and integrated optical devices from the visible to the MIR wavelength range. In addition, Fano resonances are emerging due to the coupling and hybridization of different plasmonic modes, making the structure beneficial for high sensitivity measurement.