bluuebunny/crossref_metadata_2025 huggingface dataset:
Niño 4 West (Niño‐4W) Sea Surface Temperature Variability
Authors: Feng Ming , Zhang Ying , Hendon Harry H. , McPhaden Michael J. , Marshall Andrew G.
Published: August 2021

Sea surface temperature (SST) variability in the western half of the Niño 4 region (Niño‐4W), bounded by 160°E−175°W and 5°S–5°N, has a significant impact on weather and the marine environment of the Indo‐Pacific. It exhibits significant negative skewness, with the strong penetration of the cold tongue into the western Pacific during strong La Niñas but a more muted response during El Niños. Zonal advection plays a dominant role in driving Niño‐4W SST cooling during the strong La Niña events; vertical processes also contribute, with air‐sea heat fluxes providing weak negative feedback. Advection also plays a key role in driving the Niño‐4W SST warming, which is not always in sync with El Niño events. Among the advection terms, the advection of mean temperature by zonal velocity anomalies, or zonal advective feedback, plays a key role during the development phase of the warm and cold events. Strong negative air‐sea heat flux anomalies during the development of warm events are linked to the negative SST skewness in the Niño‐4W region.
Nutrient and Carbon Export From a Tidewater Glacier to the Coastal Ocean in the Canadian Arctic Archipelago
Authors: Williams Patrick L. , Burgess David O. , Waterman Stephanie , Roberts Megan , Bertrand Erin M. , Bhatia Maya P.
Published: August 2021

A range of glacially driven processes modify and export freshwater and sediments to the ocean. This glacial runoff may influence biological productivity in coastal ecosystems by supplying essential nutrients and labile carbon. Previous studies of glacial meltwater export to the ocean have primarily been conducted on rivers draining land‐terminating glaciers, or in fjords with large tidewater glaciers. These studies speculate about downstream effects (river studies) or upstream causes (fjord studies) of differing carbon and nutrient availability and biological productivity, but do not measure them. Here, we conduct the first ice‐to‐ocean study at a marine‐terminating glacier in the Canadian Arctic Archipelago (CAA). We characterize the nutrient and carbon content of ice and meltwater collected on the glacier surface, at its margins, and in the near‐shore coastal ocean, all within 1 to 25 km of the glacier terminus. Results demonstrate that while meltwater from a shallow tidewater glacier did not directly increase downstream carbon and nutrient concentrations, it induced upwelling of deeper nutrient‐rich marine water. Although carbon concentrations in meltwater were low, results show that this carbon is potentially more bioavailable than marine carbon. Glacially mediated delivery of labile carbon and upwelling of nutrient‐rich water occurs in summer, when surface waters are nutrient‐limited. Collectively, these processes could benefit surface marine plankton, potentially stimulating production at the base of the food web. Shallow tidewater glaciers are commonly retreating in Arctic regions like the CAA and Svalbard, and understanding how increased meltwater output from these systems impacts marine ecosystems is critical.
Mutational spectrum of SARS-CoV-2 during the global pandemic
Authors: Yi Kijong , Kim Su Yeon , Bleazard Thomas , Kim Taewoo , Youk Jeonghwan , Ju Young Seok
Published: August 2021

Viruses accumulate mutations under the influence of natural selection and host–virus interactions. Through a systematic comparison of 351,525 full viral genome sequences collected during the recent COVID-19 pandemic, we reveal the spectrum of SARS-CoV-2 mutations. Unlike those of other viruses, the mutational spectrum of SARS-CoV-2 exhibits extreme asymmetry, with a much higher rate of C>U than U>C substitutions, as well as a higher rate of G>U than U>G substitutions. This suggests directional genome sequence evolution during transmission. The substantial asymmetry and directionality of the mutational spectrum enable pseudotemporal tracing of SARS-CoV-2 without prior information about the root sequence, collection time, and sampling region. This shows that the viral genome sequences collected in Asia are similar to the original genome sequence. Adjusted estimation of the dN/dSratio accounting for the asymmetrical mutational spectrum also shows evidence of negative selection on viral genes, consistent with previous reports. Our findings provide deep insights into the mutational processes in SARS-CoV-2 viral infection and advance the understanding of the history and future evolution of the virus.
Pituitary P62 deficiency leads to female infertility by impairing luteinizing hormone production
Authors: Li Xing , Zhou Ling , Peng Guiliang , Liao Mingyu , Zhang Linlin , Hu Hua , Long Ling , Tang Xuefeng , Qu Hua , Shao Jiaqing , Zheng Hongting , Long Min
Published: August 2021

P62 is a protein adaptor for various metabolic processes. Mice that lack p62 develop adult-onset obesity. However, investigations on p62 in reproductive dysfunction are rare. In the present study, we explored the effect of p62 on the reproductive system. P62 deficiency-induced reproductive dysfunction occurred at a young age (8 week old). Young systemic p62 knockout (p62-/-) and pituitary-specific p62 knockout (p62flox/flox αGSUcre) mice both presented a normal metabolic state, whereas they displayed infertility phenotypes (attenuated breeding success rates, impaired folliculogenesis and ovulation, etc.) with decreased luteinizing hormone (LH) expression and production. Consistently, in an infertility model of polycystic ovary syndrome (PCOS), pituitary p62 mRNA was positively correlated with LH levels. Mechanistically, p62-/- pituitary RNA sequencing showed a significant downregulation of the mitochondrial oxidative phosphorylation (OXPHOS) pathway. In vitro experiments using the pituitary gonadotroph cell line LβT2 and siRNA/shRNA/plasmid confirmed that p62 modulated LH synthesis and secretion via mitochondrial OXPHOS function, especially Ndufa2, a component molecule of mitochondrial complex I, as verified by Seahorse and rescue tests. After screening OXPHOS markers, Ndufa2 was found to positively regulate LH production in LβT2 cells. Furthermore, the gonadotropin-releasing hormone (GnRH)-stimulating test in p62flox/flox αGSUcre mice and LβT2 cells illustrated that p62 is a modulator of the GnRH-LH axis, which is dependent on intracellular calcium and ATP. These findings demonstrated that p62 deficiency in the pituitary impaired LH production via mitochondrial OXPHOS signaling and led to female infertility, thus providing the GnRH-p62-OXPHOS(Ndufa2)-Ca2+/ATP-LH pathway in gonadotropic cells as a new theoretical basis for investigating female reproductive dysfunction.
Molecular genetics of cocaine use disorders in humans
Authors: Fernàndez-Castillo Noèlia , Cabana-Domínguez Judit , Corominas Roser , Cormand Bru
Published: August 2021

Drug addiction, one of the major health problems worldwide, is characterized by the loss of control in drug intake, craving, and withdrawal. At the individual level, drugs of abuse produce serious consequences on health and have a negative impact on the family environment and on interpersonal and work relationships. At a wider scale, they have significant socio-economic and public health consequences and they cause delinquency and citizen insecurity. Cocaine, a psychostimulant substance, is one of the most used illicit drugs, especially in America, Western Europe, and Australia. Cocaine use disorders (CUD) are complex multifactorial conditions driven by both genetic and environmental influences. Importantly, not all people who use cocaine develop CUD, and this is due, at least in part, to biological factors that are encoded in the genome of individuals. Acute and repeated use of cocaine induces epigenetic and gene expression changes responsible for the neuronal adaptations and the remodeling of brain circuits that lead to the transition from use to abuse or dependence. The purpose of this review is to delineate such factors, which should eventually help to understand the inter-individual variability in the susceptibility to cocaine addiction. Heritability estimates for CUD are high and genetic risk factors for cocaine addiction have been investigated by candidate gene association studies (CGAS) and genome-wide association studies (GWAS), reviewed here. Also, the high comorbidity that exists between CUD and several other psychiatric disorders is well known and includes phenotypes like schizophrenia, aggression, antisocial or risk-taking behaviors. Such comorbidities are associated with a worse lifetime trajectory, and here we report shared genetic factors that may contribute to them. Gene expression changes and epigenetic modifications induced by cocaine use and chronic abuse in humans are addressed by reviewing transcriptomic studies performed on neuronal cells and onpostmortembrains. We report some genes which expression is altered by cocaine that also bear genetic risk variants for the disorder. Finally, we have a glance to the pharmacogenetics of CUD treatments, still in early stages. A better understanding of the genetic underpinnings of CUD will foster the search of effective treatments and help to move forward to personalized medicine.
Topoisomerase II is regulated by translationally controlled tumor protein for cell survival during organ growth in Drosophila
Authors: Yang Dae-Wook , Mok Jung-Wan , Telerman Stephanie B. , Amson Robert , Telerman Adam , Choi Kwang-Wook
Published: August 2021

Regulation of cell survival is critical for organ development. Translationally controlled tumor protein (TCTP) is a conserved protein family implicated in the control of cell survival during normal development and tumorigenesis. Previously, we have identified a human Topoisomerase II (TOP2) as a TCTP partner, but its role in vivo has been unknown. To determine the significance of this interaction, we examined their roles in developing Drosophila organs. Top2 RNAi in the wing disc leads to tissue reduction and caspase activation, indicating the essential role of Top2 for cell survival. Top2 RNAi in the eye disc also causes loss of eye and head tissues. Tctp RNAi enhances the phenotypes of Top2 RNAi. The depletion of Tctp reduces Top2 levels in the wing disc and vice versa. Wing size is reduced by Top2 overexpression, implying that proper regulation of Top2 level is important for normal organ development. The wing phenotype of Tctp RNAi is partially suppressed by Top2 overexpression. This study suggests that mutual regulation of Tctp and Top2 protein levels is critical for cell survival during organ development.
Extracellular vesicles package dsDNA to aggravate Crohn’s disease by activating the STING pathway
Authors: Zhao Fan , Zheng Tao , Gong Wenbin , Wu Jie , Xie Haohao , Li Weijie , Zhang Rui , Liu Peizhao , Liu Juanhan , Wu Xiuwen , Zhao Yun , Ren Jianan
Published: August 2021

Crohn’s disease (CD) is an intestinal immune-dysfunctional disease. Extracellular vesicles (EVs) are membrane-enclosed particles full of functional molecules, e.g., nuclear acids. Recently, EVs have been shown to participate in the development of CD by realizing intercellular communication among intestinal cells. However, the role of EVs carrying double-strand DNA (dsDNA) shed from sites of intestinal inflammation in CD has not been investigated. Here we isolated EVs from the plasma or colon lavage of murine colitis and CD patients. The level of exosomal dsDNA, including mtDNA and nDNA, significantly increased in murine colitis and active human CD, and was positively correlated with the disease activity. Moreover, the activation of the STING pathway was verified in CD. EVs from the plasma of active human CD triggered STING activation in macrophages in vitro. EVs from LPS-damaged colon epithelial cells were also shown to raise inflammation in macrophages via activating the STING pathway, but the effect disappeared after the removal of exosomal dsDNA. These findings were further confirmed in STING-deficient mice and macrophages. STING deficiency significantly ameliorated colitis. Besides, potential therapeutic effects of GW4869, an inhibitor of EVs release were assessed. The application of GW4869 successfully ameliorated murine colitis by inhibiting STING activation. In conclusion, exosomal dsDNA was found to promote intestinal inflammation via activating the STING pathway in macrophages and act as a potential mechanistic biomarker and therapeutic target of CD.
The structure of the bacterial DNA segregation ATPase filament reveals the conformational plasticity of ParA upon DNA binding
Authors: Parker Alexandra V. , Mann Daniel , Tzokov Svetomir B. , Hwang Ling C. , Bergeron Julien R. C.
Published: August 2021

The efficient segregation of replicated genetic material is an essential step for cell division. Bacterial cells use several evolutionarily-distinct genome segregation systems, the most common of which is the type I Par system. It consists of an adapter protein, ParB, that binds to the DNA cargo via interaction with theparSDNA sequence; and an ATPase, ParA, that binds nonspecific DNA and mediates cargo transport. However, the molecular details of how this system functions are not well understood. Here, we report the cryo-EM structure of theVibrio choleraeParA2 filament bound to DNA, as well as the crystal structures of this protein in various nucleotide states. These structures show that ParA forms a left-handed filament on DNA, stabilized by nucleotide binding, and that ParA undergoes profound structural rearrangements upon DNA binding and filament assembly. Collectively, our data suggest the structural basis for ParA’s cooperative binding to DNA and the formation of high ParA density regions on the nucleoid.
Stimulus-dependent representational drift in primary visual cortex
Authors: Marks Tyler D. , Goard Michael J.
Published: August 2021

To produce consistent sensory perception, neurons must maintain stable representations of sensory input. However, neurons in many regions exhibit progressive drift across days. Longitudinal studies have found stable responses to artificial stimuli across sessions in visual areas, but it is unclear whether this stability extends to naturalistic stimuli. We performed chronic 2-photon imaging of mouse V1 populations to directly compare the representational stability of artificial versus naturalistic visual stimuli over weeks. Responses to gratings were highly stable across sessions. However, neural responses to naturalistic movies exhibited progressive representational drift across sessions. Differential drift was present across cortical layers, in inhibitory interneurons, and could not be explained by differential response strength or higher order stimulus statistics. However, representational drift was accompanied by similar differential changes in local population correlation structure. These results suggest representational stability in V1 is stimulus-dependent and may relate to differences in preexisting circuit architecture of co-tuned neurons.
International consensus on the prevention of venous and arterial thrombotic events in patients with inflammatory bowel disease
Authors: Olivera Pablo A. , Zuily Stephane , Kotze Paulo G. , Regnault Veronique , Al Awadhi Sameer , Bossuyt Peter , Gearry Richard B. , Ghosh Subrata , Kobayashi Taku , Lacolley Patrick , Louis Edouard , Magro Fernando , Ng Siew C. , Papa Alfredo , Raine Tim , Teixeira Fabio V. , Rubin David T. , Danese Silvio , Peyrin-Biroulet Laurent
Published: August 2021

Patients with inflammatory bowel disease (IBD) are at increased risk of thrombotic events. Therapies for IBD have the potential to modulate this risk. The aims of this Evidence-Based Guideline were to summarize available evidence and to provide practical recommendations regarding epidemiological aspects, prevention and drug-related risks of venous and arterial thrombotic events in patients with IBD. A virtual meeting took place in May 2020 involving 14 international IBD experts and 3 thrombosis experts from 12 countries. Proposed statements were voted upon in an anonymous manner. Agreement was defined as at least 75% of participants voting as ‘fully agree’ or ‘mostly agree’ with each statement. For each statement, the level of evidence was graded according to the Scottish Intercollegiate Guidelines Network (SIGN) grading system. Consensus was reached for 19 statements. Patients with IBD harbour an increased risk of venous and arterial thrombotic events. Thromboprophylaxis is indicated during hospitalization of any cause in patients with IBD. Disease activity is a modifiable risk factor in patients with IBD, and physicians should aim to achieve deep remission to reduce the risk. Exposure to steroids should be limited. Antitumour necrosis factor agents might be associated with a reduced risk of thrombotic events.
Pregnancy outcomes in women affected by fetal alpha-thalassemia: a case control study
Authors: Li Jiangheng , Yan Jingli , Huang Yongquan , Wei Jinlu , Xie Bingyan , Zhu Maoling , Jiang Wu
Published: August 2021

To evaluate the possible associations between fetal α-thalassemia and risk of adverse pregnancy outcomes using a provincial woman-child health service information database in China. This was a case control study (N = 438,747) in which we compared all singleton pregnancies of women with or without the α-thalassemia trait from May 2016 to May 2020, and where women with the trait were further allocated to a normal fetal group, a group of fetuses with the α-thalassemia trait, and a fetal group with hemoglobin H (HbH) disease according to the results of fetal DNA analysis. With thalassemic women whose fetuses were normal as the reference, fetuses in the HbH disease group showed a higher increase in the odds of Apgar scores being < 7 at 1 min (adjusted odds ratio [aOR], 2.79; 1.03–7.59) and 5 min (aOR, 4.56; 1.07–19.40). With non-thalassemic women as the reference, these trends were more obvious (aOR, 4.83; 2.55–9.16; aOR, 6.24; 2.75–14.18, respectively); whereas the normal fetal group was more likely to be diagnosed with postpartum hemorrhage (aOR, 1.66; 1.10–2.50). In addition, fetal HbH disease and gestational age were two independent factors influencing low Apgar scores, and their combination reflected medium accuracy in Apgar predictions.
Effect of resolvin D5 on T cell differentiation and osteoclastogenesis analyzed by lipid mediator profiling in the experimental arthritis
Authors: Yamada Hirotaka , Saegusa Jun , Sendo Sho , Ueda Yo , Okano Takaichi , Shinohara Masakazu , Morinobu Akio
Published: August 2021

Resolvins, are specialized pro-resolving mediators (SPMs) derived from n-3 polyunsaturated fatty acids. They contribute actively to the resolution of inflammation, but little is known concerning their role in chronic inflammation, such as in rheumatoid arthritis (RA). Here, we performed lipid mediator (LM) profiling in tissues from the paws of SKG arthritic mice using lipid chromatography (LC)/mass spectrometry (MS)/MS-based LM metabololipidomics. We found elevated levels of SPMs including resolvin D5 (RvD5) in these tissues. Moreover, RvD5 levels were significantly correlated with arthritis disease activity. From experiments to assess the role of RvD5 in the pathology of RA, we concluded that RvD5 suppressed Th17 cell differentiation and facilitated regulatory T cell differentiation, as well as inhibiting CD4+ T cell proliferation. Furthermore, RvD5 attenuated osteoclast differentiation and interfered with osteoclastogenesis. Targeting the resolution of inflammation could be promising as a novel treatment for RA.
Evolutionary design of molecules based on deep learning and a genetic algorithm
Authors: Kwon Youngchun , Kang Seokho , Choi Youn-Suk , Kim Inkoo
Published: August 2021

Evolutionary design has gained significant attention as a useful tool to accelerate the design process by automatically modifying molecular structures to obtain molecules with the target properties. However, its methodology presents a practical challenge—devising a way in which to rapidly evolve molecules while maintaining their chemical validity. In this study, we address this limitation by developing an evolutionary design method. The method employs deep learning models to extract the inherent knowledge from a database of materials and is used to effectively guide the evolutionary design. In the proposed method, the Morgan fingerprint vectors of seed molecules are evolved using the techniques of mutation and crossover within the genetic algorithm. Then, a recurrent neural network is used to reconstruct the final fingerprints into actual molecular structures while maintaining their chemical validity. The use of deep neural network models to predict the properties of these molecules enabled more versatile and efficient molecular evaluations to be conducted by using the proposed method repeatedly. Four design tasks were performed to modify the light-absorbing wavelengths of organic molecules from the PubChem library.
Graphene/fluorescein dye-based sensor for detecting As(III) in drinking water
Authors: Sharma Madhu D. , Rayalu Sadhana S. , Kolev Spas D. , Krupadam Reddithota J.
Published: August 2021

A complex of reduced graphene oxide (rGO) and fluorescein (FL) dye nanoparticles of size between 50 and 100 nm has been prepared and its sensing performance for detection of As(III) in drinking water has been reported. When As(III) binds to the rGO–FL nanoparticles the relative quenching of fluorescence was increased with increase in As(III) concentration thus provide two linear calibration ranges (0–4.0 mmol L−1 and 4.0–10 mmol L−1). The fluorescence quenching mechanism was investigated by using time-resolved fluorescence spectroscopy and molecular modeling. The detection limit of this sensor has been determined as equal to 0.96 µg L−1 which is about 10 times lower than the WHO stipulated standard for As(III) in drinking water (10 µg L−1). The analytical performance and potential application of the nanosensor was compared to commercial field kits used in arsenic monitoring. The sensor proposed in this study is fast, sensitive and accurate for detection of As(III) in drinking water and environmental samples.
Accelerated 13C detection by concentrating the NMR sample in a biphasic solvent system
Authors: Baishya Bikash , Verma Ajay , Parihar Rashmi
Published: August 2021

A biphasic solvent system of CDCl3 and H2O or D2O is used to concentrate solutes closer to the NMR coil. Up to 1.6–1.8 fold gain in the SNR is observed for 13C NMR and 1H–13C HSQC, reducing the experimental time by more than half.
A radar-like DNA monitor for RNase H-targeted natural compounds screening and RNase H activity in situ detection
Authors: Hu Yalei , Xie Qian , Chang Li , Tao Xueqing , Tong Chunyi , Liu Bin , Wang Wei
Published: August 2021

Radar-like monitor for RNase H detection in vitro and for intercellular imaging.
Beyond principal components: a critical comparison of factor analysis methods for subspace modelling in chemistry
Authors: Wentzell Peter D. , Giglio Cannon , Kompany-Zareh Mohsen
Published: August 2021

Principal components analysis (PCA) is widely used in analytical chemistry, but is only one type of broader range of factor analysis tools that are described in this article.
Zinc2+ion inhibits SARS-CoV-2 main protease and viral replicationin vitro
Authors: Panchariya Love , Khan Wajahat Ali , Kuila Shobhan , Sonkar Kirtishila , Sahoo Sibasis , Ghoshal Archita , Kumar Ankit , Verma Dileep Kumar , Hasan Abdul , Khan Mohd Azeem , Jain Niyati , Mohapatra Amit Kumar , Das Shubhashis , Thakur Jitendra K. , Maiti Souvik , Nanda Ranjan Kumar , Halder Rajkumar , Sunil Sujatha , Arockiasamy Arulandu
Published: August 2021

Zn2+binds to the active site of the SARS-CoV-2 main protease (Mpro), and inhibits enzyme activity and viral replicationin vitro.
Efficient homogeneous electrocatalytic hydrogen evolution using a Ni-containing polyoxometalate catalyst
Authors: Jana Debu , Kolli Hema Kumari , Sabnam Subhashree , Das Samar K.
Published: August 2021

Compound K2[Ni(H2O)6]2[V10O28]·4H2O (1) exhibits homogeneous electrocatalytic HER in an aqueous solution with a turn over frequency of 2.1 s−1 and effectively low overpotential of 127 mV at pH 2.3.
A portable thermal detection method based on the target responsive hydrogel mediated self-heating of a warming pad
Authors: Tang Juan , Liu Liping , Gao Shan , Qin Jiao , Liu Xiaoxuan , Tang Dianping
Published: August 2021

A simple thermal aptasensor was devised for the sensitive detection of organophosphate pesticides based on the efficient self-heating reaction of a warming pad with a switchable target responsive enzyme-encapsulated three-dimensional DNA hydrogel.
Comment on “Topography of the free energy landscape of Claisen–Schmidt condensation: solvent and temperature effects on the rate-controlling step” by N. D. Coutinho, H. G. Machado, V. H. Carvalho-Silva and W. A. da Silva, Phys. Chem. Chem. Phys., 2021, 23, 6738
Authors: Perrin Charles L.
Published: August 2021

The referenced article in PCCP presents calculations of solvent kinetic isotope effects that indicate that the rate-limiting step in base-catalyzed chalcone formation in aqueous solution becomes the second enolization.
Surface hopping dynamics reveal ultrafast triplet generation promoted by S1–T2–T1 spin-vibronic coupling in 2-mercaptobenzothiazole
Authors: M. J. Chithra , Nag Probal , Vennapusa Sivaranjana Reddy
Published: August 2021

The spin-vibronic coupling between S1–T2–T1 states leads to efficient T1 generation in 2-mercaptobenzothiazole.
Effects of applied surface-tension on membrane-assisted Aβ aggregation
Authors: Sahoo Abhilash , Matysiak Silvina
Published: August 2021

The amyloid-beta peptide aggregates into ordered β-sheet like macrostructures on membranes with higher surface-tension. Peptide aggregates increased tail ordering for closer lipids at the interfacial region, and decreased ordering at the membrane center.
Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures
Authors: Zhang Shoutao , Yang Qiuping , Zhang Xiaohua , Zhao Kaixuan , Yu Hong , Zhu Li , Liu Hanyu
Published: August 2021

The introduction of Li and F into a Au–H system induces the formation of unprecedented solid metallic Li–Au–H and nonmetallic F–Au–H compounds under compression, where Au–H bonds and superconductivity are discovered in some Li–Au–H compounds.
Catalyst deep neural networks (Cat-DNNs) in singlet fission property prediction
Authors: Ye Shuqian , Liang Jiechun , Zhu Xi
Published: August 2021

Our Cat-DNNs scheme adopts physical correlations as “catalysts” for any multi-task deep neural network model to achieve higher physical accuracy. It can keep all output physically-reliable and precisely predict singlet fission properties.
Atomic-level ablation of Au@Ag NRs using ultrafast laser excitation
Authors: Zhu Dezhi , Yan Jianfeng , Xie Jiawang , He Guangzhi
Published: August 2021

The atomic structure design of metallic nanomaterials plays a vital role in practical applications. Here, we proposed the atomic-level ablation of Au@Ag NRs using ultrafast laser excitation and revealed the interaction mechanisms.
Biobased poly(ester-co-glycoside) from reactive natural Brønsted acidic deep eutectic solvent analogue
Authors: Duaux Gabriel , Fleury Etienne , Portinha Daniel
Published: August 2021

{glucose : malic acid : water} [(1 : 1 : x),x≤ 9] mixtures are Brønsted Acidic Natural Low Transition Temperature (NaLTTM) that react in solvent/catalyst free conditions to prepare all-natural poly(ester-co-glycoside) branched and crosslinked polymers.
Clathrin: the molecular shape shifter
Authors: Wood Katherine M. , Smith Corinne J.
Published: August 2021

Clathrin is best known for its contribution to clathrin-mediated endocytosis yet it also participates to a diverse range of cellular functions. Key to this is clathrin's ability to assemble into polyhedral lattices that include curved football or basket shapes, flat lattices or even tubular structures. In this review, we discuss clathrin structure and coated vesicle formation, how clathrin is utilised within different cellular processes including synaptic vesicle recycling, hormone desensitisation, spermiogenesis, cell migration and mitosis, and how clathrin's remarkable ‘shapeshifting’ ability to form diverse lattice structures might contribute to its multiple cellular functions.
Integrated energy system operation optimization with gas linepack and thermal inertia
Authors: Zhou Suyang , Pei Rui , Xie Jihua , Gu Wei , Chen Xiaogang
Published: August 2021

An optimal scheduling model that can integrate the power, heat and gas networks considering the gas linepack and the thermal inertia of heating system is proposed here. By coupling the characteristics of various energy flows, the flexibility and reliability of system operation can be improved without further investment on the storage equipment. First, the storage capacity of the gas pipeline, the process of thermal system transmission and the heat storage capability at the consumer side are analysed and modelled. The associated gas linepack model, heat system thermal inertia model and primary electricity‐gas‐heat model are subsequently combined and simplified through incremental linearization to establish an optimal scheduling model that can be applied for the Integrated Energy System (IES) based on the characteristics of thermal inertia and gas linepack. Case studies are conducted to assess the potential of optimizing the two energy flows using the proposed optimal scheduling method and the results indicate that the IES can significantly enhance the system capability to accommodate excessive renewable energy and maintain reliable operation during peak hours.
Fitting spectral energy distributions of FMOS-COSMOS emission-line galaxies atz∼ 1.6: Star formation rates, dust attenuation, and [OIII]λ5007 emission-line luminosities
Authors: Villa-Vélez J. A. , Buat V. , Theulé P. , Boquien M. , Burgarella D.
Published: August 2021

We perform a spectral energy distribution fitting analysis on a COSMOS photometric sample covering the ultra-violet up to the far-infrared wavelengths and including emission lines from the Fiber Multi-Object Spectrograph survey. The sample consists of 182 objects with Hαand [OIII]λ5007 emission line measurements lying in a redshift range of 1.40 < z < 1.68. We obtain robust estimates of the stellar mass and star-formation rate spanning over a range of 109.5 − 1011.5M⊙and 101 − 103M⊙yr−1from the Bayesian analysis performed with CIGALE and using continuum photometry and Hαfluxes. Combining photometry and spectroscopy gives secure estimations of the amount of dust attenuation for both continuum and line emissions. We obtain a median attenuation ofAHα = 1.16 ± 0.19 mag andA[OIII] = 1.41 ± 0.22 mag. Hαand [OIII]λ5007 attenuations are found to increase with stellar mass, confirming previous findings with Hα. A difference of 57% in the attenuation experienced by emission lines and continuum is found to be in agreement with the emission lines being more attenuated than the continuum emission. Implementation of new CLOUDY HII-region models in CIGALE enables good fits of the Hα, Hβ, [OIII]λ5007 emission lines with discrepancies smaller than 0.2 dex in the predicted fluxes. Fitting the [NII]λ6584 line is found challenging due to well-known discrepancies in the locus of galaxies in the [NII]-BPT diagram at intermediate and high redshifts. We find a positive correlation between SFR andL[OIII]λ5007 after correcting for dust attenuation and we derive the linear relation log10(SFR/M⊙yr−1)=log10(L[OIII]/ergs s−1)−(41.20 ± 0.02). Leaving the slope as a free parameter leads to log10(SFR/M⊙yr−1)=(0.83 ± 0.06)log10(L[OIII]/ergs s−1)−(34.01 ± 2.63). The spread in the relation is driven by differences in the gas-phase metallicity and ionization parameter accounting for a 0.24 dex and 1.1 dex of the dispersion, respectively. We report an average value of logU ≈ −2.85 for this sample of galaxies. Including HII-region models to fit simultaneously photometric data and emission line fluxes is paramount to analyses of upcoming data sets from large spectroscopic surveys of the future, such as MOONS and PFS.
Kinetic temperature of massive star-forming molecular clumps measured with formaldehyde
Authors: Tang X. D. , Henkel C. , Menten K. M. , Gong Y. , Chen C.-H. R. , Li D. L. , Lee M.-Y. , Mangum J. G. , Ao Y. P. , Mühle S. , Aalto S. , García-Burillo S. , Martín S. , Viti S. , Muller S. , Costagliola F. , Asiri H. , Levshakov S. A. , Spaans M. , Ott J. , Impellizzeri C. M. V. , Fukui Y. , He Y. X. , Esimbek J. , Zhou J. J. , Zheng X. W. , Zhao X. , Li J. S.
Published: August 2021

We mapped the kinetic temperature structure of two massive star-forming regions, N113 and N159W, in the Large Magellanic Cloud (LMC). We have used ~1.′′6 (~0.4 pc) resolution measurements of the para-H2CO JKaKc = 303–202, 322–221, and 321–220 transitions near 218.5 GHz to constrain RADEX non local thermodynamic equilibrium models of the physical conditions. The gas kinetic temperatures derived from the para-H2CO line ratios 322–221/303–202 and 321–220/303–202 range from 28 to 105 K in N113 and 29 to 68 K in N159W. Distributions of the dense gas traced by para-H2CO agree with those of the 1.3 mm dust and Spitzer 8.0 μm emission, but they do not significantly correlate with the Hα emission. The high kinetic temperatures (Tkin ≳ 50 K) of the dense gas traced by para-H2CO appear to be correlated with the embedded infrared sources inside the clouds and/or young stellar objects in the N113 and N159W regions. The lower temperatures (Tkin < 50 K) were measured at the outskirts of the H2CO-bearing distributions of both N113 and N159W. It seems that the kinetic temperatures of the dense gas traced by para-H2CO are weakly affected by the external sources of the Hα emission. The non thermal velocity dispersions of para-H2CO are well correlated with the gas kinetic temperatures in the N113 region, implying that the higher kinetic temperature traced by para-H2CO is related to turbulence on a ~0.4 pc scale. The dense gas heating appears to be dominated by internal star formation activity, radiation, and/or turbulence. It seems that the mechanism heating the dense gas of the star-forming regions in the LMC is consistent with that in Galactic massive star-forming regions located in the Galactic plane.
Depression per App behandeln? Möglichkeiten und Grenzen digitaler Gesundheitsanwendungen (DiGAs)
Authors: Mayer Gwendolyn , Schultz Jobst-Hendrik
Published: August 2021

Digitale Gesundheitsanwendungen gehören zum Versorgungsangebot psychisch kranker Menschen. Für Depressionen existieren evidenzbasierte Unterstützungsmöglichkeiten von Stimmungs-Apps bis hin zu umfangreichen Programmen. Doch welche therapeutischen Inhalte finden sich in Digitalen Gesundheitsanwendungen (DiGAs) und welche Technologien kommen zum Einsatz? Ein Überblick über Entwicklung, Forschungsergebnisse und Blick in die Zukunft.
Antidepressiva – wirksam und gut verträglich?
Authors: Plöderl Martin , Padberg Thorsten
Published: August 2021

Die psychopharmakologische Behandlung von Depressionen mit Antidepressiva ist gemäß den Leitlinien empfohlen, zumindest für mittlere bis schwere Depressionen, und die Verschreibung hat sich in im neuen Jahrtausend in Deutschland fast verdreifacht (
Abb. 1
). Demgegenüber steht eine anhaltende Debatte über deren Wirksamkeit und Risiken. Diese sollen im Beitrag unter Berücksichtigung aktueller Evidenz kritisch beleuchtet werden.
Schatten auf der Seele – Links für Betroffene und Experten zum Thema Depression
Authors: Tränkner Johanna
Published: August 2021

Im Internet können sich Betroffene ohne große Erschwernisse über das Wesen von depressiven Störungen informieren. Indem erste Ansätze und Hilfsangebote ermittelt werden können, werden Gefühle wie Hoffnungslosigkeit gemildert und der depressive Teufelskreis im ersten Schritt durchbrochen. Auch für Fachpersonal hält das Internet ein breites Spektrum an Informationen zu Forschung, Therapie und Weiterbildungen rund um das Thema Depression bereit.
Depression und COVID-19-Pandemie: Psychische Folgen und Auswirkungen auf die Versorgungssituation
Authors: Czaplicki Andreas , Reich Hanna , Hegerl Ulrich
Published: August 2021

In diesem Beitrag werden anhand der Daten des „Deutschland-Barometer Depression 2020“ psychische Folgen der Covid-19-Pandemie und der Maßnahmen zu deren Eindämmung auf die Bevölkerung im Allgemeinen und depressiv Erkrankte im Besonderen diskutiert. Versorgungsangebote wie Telefon- und Videosprechstunden oder digitale Selbstmanagement-Angebote werden angesprochen, die im Rahmen der Pandemie massiv an Bedeutung und Akzeptanz gewonnen haben.
The location-based resect and discard strategy for diminutive colorectal polyps: a prospective clinical study
Authors: Taghiakbari Mahsa , Pohl Heiko , Djinbachian Roupen , Barkun Alan , Marques Paola , Bouin Mickael , Deslandres Eric , Panzini Benoit , Bouchard Simon , Weber Audrey , von Renteln Daniel
Published: August 2021

Background Clinical implementation of the resect-and-discard strategy has been difficult because optical diagnosis is highly operator dependent. This prospective study aimed to evaluate a resect-and-discard strategy that is not operator dependent.

Methods The study evaluated a resect-and-discard strategy that uses the anatomical polyp location to classify colonic polyps into non-neoplastic or low risk neoplastic. All rectosigmoid diminutive polyps were considered hyperplastic and all polyps located proximally to the sigmoid colon were considered neoplastic. Surveillance interval assignments based on these a priori assumptions were compared with those based on actual pathology results and on optical diagnosis. The primary outcome was ≥ 90 % agreement with pathology in surveillance interval assignment.

Results 1117 patients undergoing complete colonoscopy were included and 482 (43.1 %) had at least one diminutive polyp. Surveillance interval agreement between the location-based strategy and pathological findings using the 2020 US Multi-Society Task Force guideline was 97.0 % (95 % confidence interval [CI] 0.96–0.98), surpassing the ≥ 90 % benchmark. Optical diagnoses using the NICE and Sano classifications reached 89.1 % and 90.01 % agreement, respectively (P < 0.001), and were inferior to the location-based strategy. The location-based resect-and-discard strategy allowed a 69.7 % (95 %CI 0.67–0.72) reduction in pathology examinations compared with 55.3 % (95 %CI 0.52–0.58; NICE and Sano) and 41.9 % (95 %CI 0.39–0.45; WASP) with optical diagnosis.

Conclusion The location-based resect-and-discard strategy achieved very high surveillance interval agreement with pathology-based surveillance interval assignment, surpassing the ≥ 90 % benchmark and outperforming optical diagnosis in surveillance interval agreement and the number of pathology examinations avoided.
Detection of soluble biomarkers of pancreatic cancer in endoscopic ultrasound-guided fine-needle aspiration samples
Authors: Souche Régis , Tosato Guillaume , Colinge Jacques , Turtoi Andrei , Rivière Benjamin , Valats Jean-Christophe , Debourdeau Antoine , Flori Nicolas , Pourquier Didier , Fabre Jean-Michel , Assenat Eric
Published: August 2021

Background Biomarkers are urgently needed for pancreatic ductal adenocarcinoma (PDAC). Endoscopic ultrasound-guided fine-needle aspiration (EUS-FNA) is the cornerstone for diagnosing PDAC. We developed a method for discovery of PDAC biomarkers using the discarded EUS-FNA liquid.

Methods This retrospective study included 58 patients with suspected pancreatic lesions who underwent EUS-FNA. Protein extracts from EUS-FNA liquid were analyzed by mass spectrometry. Proteomic and clinical data were modeled by supervised statistical learning to identify protein markers and clinical variables that distinguish PDAC.

Results Statistical modeling revealed a protein signature for PDAC screening that achieved high sensitivity and specificity (0.92, 95 % confidence interval [CI] 0.79–0.98, and 0.85, 95 %CI 0.67–0.93, respectively). We also developed a protein signature score (PSS) to guide PDAC diagnosis. In combination with patient age, the PSS achieved 100 % certainty in correctly identifying PDAC patients > 54 years. In addition, 3 /4 inconclusive EUS-FNA biopsies were correctly identified using PSS.

Conclusions EUS-FNA-derived fluid is a rich source of PDAC proteins with biomarker potential. The PSS requires further validation and verification of the feasibility of measuring these proteins in patient sera.
A Survey of Academic Neonatologists on Neonatal Electrical Cardioversion and Defibrillation
Authors: Panchangam Chaitanya , Rodriguez Catherine , Dyke II Peter C. , Ohler Adrienne , Vachharajani Akshaya
Published: August 2021

Objective This study aimed to assess neonatologists' experience and comfort with neonatal electrical cardioversion or defibrillation (EC-D).

Study Design Electronic surveys were distributed to academic neonatologists affiliated with 12 Midwest academic hospitals. Neonatologists were asked about their residency training; years since completing residency; current certification/competency training in the Basic Life Support (BLS), Pediatric Advanced Life Support (PALS), Advanced Cardiovascular Life Support (ACLS), and Neonatal Resuscitation Program (NRP); experiences with EC-D; availability of a pediatric cardiologist; and their comfort levels with such procedures. Standard statistical tests evaluated comfort with EC-D.

Results Seventy-two out of 180 neonatologists responded to the survey (response rate = 40%). Of them, 98.6% (71), 54.2% (39), and 37.5% (27) maintained current NRP, BLS, and PALS trainings, respectively. Also, 73.6% (n = 53) reported having performed neonatal EC-D. Of those, 50.9% (n = 27) indicated feeling slightly to very uncomfortable performing EC-D. We report a lack of BLS certification being associated with a lack of comfort (odds ratio [OR]: 0.269, 95% confidence interval [CI]: [0.071, 0.936]), and a positive association between a pediatric cardiologist being present and being uncomfortable (OR: 3.722, 95% CI: [1.069, 14.059]). Those reporting greater volume and more recent experience with EC-D report more comfort.

Conclusion Of neonatologists who performed EC-D, half of them reported being uncomfortable. BLS certification and experience are positively associated with comfort in performing EC-D. Simulations to increase training in EC-D should be offered regularly to academic neonatologists.

Key Points
Imide-Functionalized Helical PAHs: A Step towards New Chiral Functional Materials
Authors: Ravat Prince , Saal Fridolin
Published: August 2021

Attachment of cyclic imide groups to polycyclic aromatic hydrocarbons (PAHs) leads to fascinating electronic and luminescence properties, with rylene diimides being a representative example. The close to unity fluorescence quantum yields and electron-acceptor properties render them suitable for application in organic electronics and photovoltaics. Recent reports show that, in line with planar PAHs, the imide functionalization has also endowed helical three-dimensional PAHs with similar beneficial photophysical properties. In this article, we have summarized the state-of-the-art research developments in the field of helicene–imide hybrid functional molecules, with a particular focus on synthesis, (chir)optical and redox properties, and applications in electronics. Additionally, we have highlighted our recent work, introducing a novel family of functional chiral molecules, namely, [n]helicene diimides, as three-dimensional relatives of rylene diimides.
Experimental Electrochemical Potentials of Nickel Complexes
Authors: Diao Tianning , Lin Qiao , Dawson Gregory
Published: August 2021

Nickel-catalyzed cross-coupling and photoredox catalytic reactions has found widespread utilities in organic synthesis. Redox processes are key intermediate steps in many catalytic cycles. As a result, it is pertinent to measure and document the redox potentials of various nickel species as precatalysts, catalysts, and intermediates. The redox potentials of a transition-metal complex are governed by its oxidation state, ligand, and the solvent environment. This article tabulates experimentally measured redox potentials of nickel complexes supported on common ligands under various conditions. This review article serves as a versatile tool to help synthetic organic and organometallic chemists evaluate the feasibility and kinetics of redox events occurring at the nickel center, when designing catalytic reactions and preparing nickel complexes.

1 Introduction

1.1 Scope

1.2 Measurement of Formal Redox Potentials

1.3 Redox Potentials in Nonaqueous Solution

2 Redox Potentials of Nickel Complexes

2.1 Redox Potentials of (Phosphine)Ni Complexes

2.2 Redox Potentials of (Nitrogen)Ni Complexes

2.3 Redox Potentials of (NHC)Ni Complexes
Atropisomeric Properties of 9-Methyl-1,4-benzodiazepin-2-ones
Authors: Takahashi Hideyo , Tanaka Ryoko , Makino Kosho , Tabata Hidetsugu , Oshitari Tetsuta , Natsugari Hideaki
Published: August 2021

The atropisomeric and conformational properties of 1,4-benzodiazepin-2-ones were investigated by freezing the conformation with a methyl group at the C9 of 1,4-benzodiazepine. It was revealed that 1,4-benzodiazepin-2-ones exist only as a pair of enantiomers [(a1
R, a2
S) and (a1
S, a2
R)], which was confirmed by X-ray analysis. The absolute configuration of each atropisomer was deduced by comparing the [α]D and CD data with those of (–)-N-methoxycarbonylmethylated 9-methyl-5-phenyl-1,4-benzodiaepin-2-one derivative. It was elucidated that the corresponding N-methylated derivative showed similar CD spectra, although the rotational direction of [α]D was opposite to that of others.
Ketogenic Diet for KARS-Related Mitochondrial Dysfunction and Progressive Leukodystrophy
Authors: Murofushi Yuka , Hayakawa Itaru , Abe Yuichi , Ohto Tatsuyuki , Murayama Kei , Suzuki Hisato , Takenouchi Toshiki , Kosaki Kenjiro , Kubota Masaya
Published: August 2021

KARS encodes lysyl-tRNA synthetase, which is essential for protein translation. KARS mutations sometimes cause impairment of cytoplasmic and mitochondrial protein synthesis, and sometimes lead to progressive leukodystrophies with mitochondrial signature and psychomotor regression, and follow a rapid regressive course to premature death. There has been no disease-modifying therapy beyond supportive treatment. We present a 5-year-old male patient with an asymmetrical leukodystrophy who showed overt evidence of mitochondrial dysfunction, including elevation of lactate on brain MR spectroscopy and low oxygen consumption rate in fibroblasts. We diagnosed this patient's condition as KARS-related leukodystrophy with cerebral calcification, congenital deafness, and evidence of mitochondrial dysfunction. We employed a ketogenic diet as well as multiple vitamin supplementation with the intention to alleviate mitochondrial dysfunction. The patient showed alleviation of his psychomotor regression and even partial restoration of his abilities within 4 months. This is an early report of a potential disease-modifying therapy for KARS-related progressive leukodystrophy without appreciable adverse effects.
Role of White blood Cell Count and Mean Platelet Volume ratio in Acute Coronary Syndrome patients: A short study
Authors: Devi S. Rama
Published: August 2021

The white blood cell count to mean platelet volume ratio is an indicator of inflammation in patients with atherosclerotic disease. Acute coronary syndrome is a disease characterized in most of the cases by rupture of atherosclerotic plaque and subsequent complete or incomplete thrombosis of the coronary arteries.