bluuebunny/crossref_metadata_2025 huggingface dataset:
The curcumin analog (PAC) suppressed cell survival and induced apoptosis and autophagy in oral cancer cells
Authors: Semlali Abdelhabib , Contant Camille , Al-Otaibi Basem , Al-Jammaz Ibrahim , Chandad Fatiha
Published: June 2021

PAC (3,5-Bis (4-hydroxy-3-methoxybenzylidene)-N-methyl-4-piperidone), a novel bioactive curcumin analog, has been reported to have anticancer properties against various tumors. However, the anti-cancer effects of PAC on oral cavity squamous cell carcinoma were not studied yet. Our aim is to investigate the anti-oral cancer properties of PAC in vitro, and determine the molecular mechanisms underlying these effects. Viability assays including MTT and LDH were conducted to measure cell proliferation. Flow cytometry-based cytotoxicity assay was performed to detect autophagic cell death and oxidative stress markers. Western blotting was used for measuring protein expression/activation in apoptotic, autophagic and pro-carcinogenic cellular signaling pathways. We demonstrated that PAC preferentially and, in a dose, -dependent way kills oral cancer cells, but was not toxic to normal human gingival cells. PAC destabilizes cell-cycle distributions, inhibits the expression of oncogenes (cyclin D1) and that of cyclin-dependent kinase inhibitor (p21WAF1) is upregulated, increases the expression of p53 gene, and inhibits epithelial-mesenchymal transition markers in oral cancer cells. The PAC effect involve various signaling pathways including NF-κB, MAPK, Wnt, caspase-3/9 and PARP1. Finally, PAC demonstrated ability to induce autophagy, decrease production of reactive oxygen species, increase intracellular glutathione (GSH) activity, and reduce mitochondrial membrane potential in oral cancer cells. In conclusion, PAC inhibits the proliferation and increases the apoptosis and autophagy and oxidative stress of oral cancer cells. These effects involve ERK1/2, p38/JNK, NF-κB and Wnt cellular signaling pathways. Overall, our study suggests the potential use of PAC to treat oral cancer.
Nectar non-protein amino acids (NPAAs) do not change nectar palatability but enhance learning and memory in honey bees
Authors: Carlesso Daniele , Smargiassi Stefania , Pasquini Elisa , Bertelli Giacomo , Baracchi David
Published: June 2021

Floral nectar is a pivotal element of the intimate relationship between plants and pollinators. Nectars are composed of a plethora of nutritionally valuable compounds but also hundreds of secondary metabolites (SMs) whose function remains elusive. Here we performed a set of behavioural experiments to study whether five ubiquitous nectar non-protein amino acids (NPAAs: β-alanine, GABA, citrulline, ornithine and taurine) interact with gustation, feeding preference, and learning and memory inApis mellifera. We showed that foragers were unable to discriminate NPAAs from water when only accessing antennal chemo-tactile information and that freely moving bees did not exhibit innate feeding preferences for NPAAs. Also, NPAAs did not alter food consumption or longevity in caged bees over 10 days. Taken together our data suggest that natural concentrations of NPAAs did not alter nectar palatability to bees. Olfactory conditioning assays showed that honey bees were more likely to learn a scent when it signalled a sucrose reward containing either β-alanine or GABA, and that GABA enhanced specific memory retention. Conversely, when ingested two hours prior to conditioning, GABA, β-alanine, and taurine weakened bees’ acquisition performances but not specific memory retention, which was enhanced in the case of β-alanine and taurine. Neither citrulline nor ornithine affected learning and memory. NPAAs in nectars may represent a cooperative strategy adopted by plants to attract beneficial pollinators.
Distributed groundwater recharge potentials assessment based on GIS model and its dynamics in the crystalline rocks of South India
Authors: Fauzia  , Surinaidu L. , Rahman Abdur , Ahmed Shakeel
Published: June 2021

Extensive change in land use, climate, and over-exploitation of groundwater has increased pressure on aquifers, especially in the case of crystalline rocks throughout the world. To support sustainability in groundwater management require proper understating of groundwater dynamics and recharge potential. GIS based studies have gained immense popularity in groundwater exploration in recent years because they are fast and provide recent information on the resource for future growth. Thus, the present study utilized a GIS-based Weighted Overlay Index (WOI) model to identify the potential recharge zones and to gain deep knowledge of groundwater dynamics. The in situ infiltration tests have been carried out, which is the key process in groundwater recharge and is neglected in many cases for WOI. In the WOI, ten thematic layers from the parameters influencing and involved in the recharge process are considered to identify potential recharge zones. The results suggested a significant underestimation of recharge potential without considering site-specific infiltration rates that one needs to be considered. The present WOI model considered in situ infiltration information and classified the entire area into four recharge zones, good, moderate, poor, and very poor. The final integrated map compared with the real-time field data like water level fluctuation and infiltration to analyse occurrence and quantification of recharge. The estimated average groundwater draft is 21.9 mcm, while annual renewable recharge is only 5.7 mcm that causing a continuous fall of the groundwater table. The study is useful in selecting regions with more focussed recharge studies and suggested the need of reducing groundwater demand by changing cropping patterns through a predictive decision support tool.
Therapeutic hypercapnia for prevention of secondary ischemia after severe subarachnoid hemorrhage: physiological responses to continuous hypercapnia
Authors: Stetter Christian , Weidner Franziska , Lilla Nadine , Weiland Judith , Kunze Ekkehard , Ernestus Ralf-Ingo , Muellenbach Ralf Michael , Westermaier Thomas
Published: June 2021

Temporary hypercapnia has been shown to increase cerebral blood flow (CBF) and might be used as a therapeutical tool in patients with severe subarachnoid hemorrhage (SAH). It was the aim of this study was to investigate the optimum duration of hypercapnia. This point is assumed to be the time at which buffer systems become active, cause an adaptation to changes of the arterial partial pressure of carbon dioxide (PaCO2) and annihilate a possible therapeutic effect. In this prospective interventional study in a neurosurgical ICU the arterial partial pressure of carbon dioxide (PaCO2) was increased to a target range of 55 mmHg for 120 min by modification of the respiratory minute volume (RMV) one time a day between day 4 and 14 in 12 mechanically ventilated poor-grade SAH-patients. Arterial blood gases were measured every 15 min. CBF and brain tissue oxygen saturation (StiO2) were the primary and secondary end points. Intracranial pressure (ICP) was controlled by an external ventricular drainage. Under continuous hypercapnia (PaCO2 of 53.17 ± 5.07), CBF was significantly elevated between 15 and 120 min after the start of hypercapnia. During the course of the trial intervention, cardiac output also increased significantly. To assess the direct effect of hypercapnia on brain perfusion, the increase of CBF was corrected by the parallel increase of cardiac output. The maximum direct CBF enhancing effect of hypercapnia of 32% was noted at 45 min after the start of hypercapnia. Thereafter, the CBF enhancing slowly declined. No relevant adverse effects were observed. CBF and StiO2 reproducibly increased by controlled hypercapnia in all patients. After 45 min, the curve of CBF enhancement showed an inflection point when corrected by cardiac output. It is concluded that 45 min might be the optimum duration for a therapeutic use and may provide an optimal balance between the benefits of hypercapnia and risks of a negative rebound effect after return to normal ventilation parameters.

Trial registration: The study was approved by the institutional ethics committee (AZ 230/14) and registered at ClinicalTrials.gov (Trial-ID: NCT01799525). Registered 01/01/2015.
e-Nature Positive Emotions Photography Database (e-NatPOEM): affectively rated nature images promoting positive emotions
Authors: Dal Fabbro Daniela , Catissi Giulia , Borba Gustavo , Lima Luciano , Hingst-Zaher Erika , Rosa João , Victor Elivane , Bernardes Letícia , Souza Tinely , Leão Eliseth
Published: June 2021

Affectively rated image databases have their main application in studies that require inducing distinct stimuli on subjects. Widespread databases are designed to cover a broad range of stimuli, from negative to positive (valence), and relaxed to excited (arousal). The availability of narrow domain databases, designed to cover and thoroughly analyze a few categories of images that induce a particular stimulus, is limited. We present a narrow domain affective database with positive images, named e-Nature Positive Emotions Photography Database (e-NatPOEM), consisting of 433 high-quality images produced by professional and amateur photographers. A total of 739 participants evaluated them using a web-based tool to input valence-arousal values and a single word describing the evoked feeling. Ratings per image ranged from 36 to 108, median: 57; first/third quartiles: 56/59. 84% of the images presented valence > middle of the scale and arousal < middle of the scale. Words describing the images were classified into semantical groups, being predominant: Peace/tranquility (39% of all words), Beauty (23%), and Positive states (15%). e-NatPOEM is free and publicly available, it is a valid resource for affective research, and presents the potential for clinical use to assist positive emotions promotion.
Identification and function of ETH receptor networks in the silkworm Bombyx mori
Authors: Daubnerová Ivana , Roller Ladislav , Satake Honoo , Zhang Chen , Kim Young-Joon , Žitňan Dušan
Published: June 2021

Insect ecdysis triggering hormones (ETHs) released from endocrine Inka cells act on specific neurons in the central nervous system (CNS) to activate the ecdysis sequence. These primary target neurons express distinct splicing variants of ETH receptor (ETHR-A or ETHR-B). Here, we characterized both ETHR subtypes in the moth Bombyx mori in vitro and mapped spatial and temporal distribution of their expression within the CNS and peripheral organs. In the CNS, we detected non-overlapping expression patterns of each receptor isoform which showed dramatic changes during metamorphosis. Most ETHR-A and a few ETHR-B neurons produce multiple neuropeptides which are downstream signals for the initiation or termination of various phases during the ecdysis sequence. We also described novel roles of different neuropeptides during these processes. Careful examination of peripheral organs revealed ETHRs expression in specific cells of the frontal ganglion (FG), corpora allata (CA), H-organ and Malpighian tubules prior to each ecdysis. These data indicate that PETH and ETH are multifunctional hormones that act via ETHR-A and ETHR-B to control various functions during the entire development—the ecdysis sequence and associated behaviors by the CNS and FG, JH synthesis by the CA, and possible activity of the H-organ and Malpighian tubules.
Biomarkers for the diagnosis and post-Kasai portoenterostomy prognosis of biliary atresia: a systematic review and meta-analysis
Authors: He Lin , Ip Dennis Kai Ming , Tam Greta , Lui Vincent Chi Hang , Tam Paul Kwong Hang , Chung Patrick Ho Yu
Published: June 2021

To evaluate the accuracy of biomarkers for the early diagnosis of biliary atresia (BA) and prognostic stratification after Kasai portoenterostomy (KPE). We conducted a systematic review of PubMed, Web of Science, Embase, Scopus and OVID for English literature reporting BA biomarkers published before August 2020. Screening, data extraction, and quality assessment were performed in duplicate. A total of 51 eligible studies were included in the systematic review, and data from 12 (4182 subjects) were extracted for meta-analysis regarding the following 2 domains: (1) serum matrix metallopeptidase-7 (MMP-7), interleukin33 (IL-33) and γ-glutamyl transferase (GGT) to differentiate BA from non-BA; (2) the aspartate aminotransferase to platelet ratio index (APRi) to predict post-KPE liver fibrosis/cirrhosis. The summary sensitivity, specificity and area under the curve (AUC) of MMP-7 for diagnosing BA were 96%, 91% and 0.9847, respectively, and those of GGT were 80%, 79% and 0.9645, respectively. The summary sensitivity and specificity of IL-33 for diagnosing BA were 77% and 85%, respectively. The summary sensitivity and specificity of APRi for predicting post-KPE liver fibrosis were 61% and 80%, respectively, and the summary sensitivity, specificity and AUC of APRi for predicting post-KPE cirrhosis were 78%, 83% and 0.8729, respectively. Moreover, good evidence was shown in investigations of serum IL-18 and IL-33 in distinguishing BA from healthy controls, serum IL-18 for prognosis of post-KPE persistent jaundice, and serum hyaluronic acid and MMP-7 for prognosis of post-KPE significant liver fibrosis. MMP-7, IL-33 and GGT are useful biomarkers to assist in the diagnosis of BA. APRi might be used to predict post-KPE significant liver fibrosis and cirrhosis. These noninvasive biomarkers can be integrated into the management protocol of BA.
Detecting pelvic fracture on 3D-CT using deep convolutional neural networks with multi-orientated slab images
Authors: Ukai Kazutoshi , Rahman Rashedur , Yagi Naomi , Hayashi Keigo , Maruo Akihiro , Muratsu Hirotsugu , Kobashi Syoji
Published: June 2021

Pelvic fracture is one of the leading causes of death in the elderly, carrying a high risk of death within 1 year of fracture. This study proposes an automated method to detect pelvic fractures on 3-dimensional computed tomography (3D-CT). Deep convolutional neural networks (DCNNs) have been used for lesion detection on 2D and 3D medical images. However, training a DCNN directly using 3D images is complicated, computationally costly, and requires large amounts of training data. We propose a method that evaluates multiple, 2D, real-time object detection systems (YOLOv3 models) in parallel, in which each YOLOv3 model is trained using differently orientated 2D slab images reconstructed from 3D-CT. We assume that an appropriate reconstruction orientation would exist to optimally characterize image features of bone fractures on 3D-CT. Multiple YOLOv3 models in parallel detect 2D fracture candidates in different orientations simultaneously. The 3D fracture region is then obtained by integrating the 2D fracture candidates. The proposed method was validated in 93 subjects with bone fractures. Area under the curve (AUC) was 0.824, with 0.805 recall and 0.907 precision. The AUC with a single orientation was 0.652. This method was then applied to 112 subjects without bone fractures to evaluate over-detection. The proposed method successfully detected no bone fractures in all except 4 non-fracture subjects (96.4%).
A novel piperazine derivative that targets hepatitis B surface antigen effectively inhibits tenofovir resistant hepatitis B virus
Authors: Kiruthika S. , Bhat Ruchika , Dash Rozaleen , Rathore Anurag S. , Vivekanandan Perumal , Jayaram B.
Published: June 2021

Chronic hepatitis B virus (HBV) infection is a global problem. The loss of hepatitis B surface antigen (HBsAg) in serum is a therapeutic end point. Prolonged therapy with nucleoside/nucleotide analogues targeting the HBV-polymerase may lead to resistance and rarely results in the loss of HBsAg. Therefore, inhibitors targeting HBsAg may have potential therapeutic applications. Here, we used computational virtual screening, docking, and molecular dynamics simulations to identify potential small molecule inhibitors against HBsAg. After screening a million molecules from ZINC database, we identified small molecules with potential anti-HBV activity. Subsequently, cytotoxicity profiles and anti-HBV activities of these small molecules were tested using a widely used cell culture model for HBV. We identified a small molecule (ZINC20451377) which binds to HBsAg with high affinity, with a KD of 65.3 nM, as determined by Surface Plasmon Resonance spectroscopy. Notably, the small molecule inhibited HBsAg production and hepatitis B virion secretion (10 μM) at low micromolar concentrations and was also efficacious against a HBV quadruple mutant (CYEI mutant) resistant to tenofovir. We conclude that this small molecule exhibits strong anti-HBV properties and merits further testing.
Transport current and magnetization of Bi-2212 wires above liquid Helium temperature for cryogen-free applications
Authors: Leveratto A. , Armenio A. Angrisani , Traverso A. , De Marzi G. , Celentano G. , Malagoli A.
Published: June 2021

Since the discovery of high temperature superconductors, a possible cryogen-free scenario has always been wished. Nowadays, liquid Helium is running out, and it is likely that the cooling by will be a large part of the costs of any superconducting system. Bi-2212 wires at temperature higher than 4.2 K still show a very high irreversibility field and thus a deep investigation of their properties in such a range of temperature is very useful in order to assess the applicability in high field cryogen-free magnets. Here electrical transport and magnetic properties characterization at variable temperature and magnetic field on our “GDG—processed” wires are reported together with a well-described original approach to calculate the irreversibility field Hirr. This study is devoted to provide reference data on the behaviour of the only isotropic wire for high field application with an eye to the performances at temperatures above 4.2 K.
Differential effects of heat-not-burn and conventional cigarettes on coronary flow, myocardial and vascular function
Authors: Ikonomidis Ignatios , Vlastos Dimitrios , Kostelli Gavriela , Kourea Kallirhoe , Katogiannis Konstantinos , Tsoumani Maria , Parissis John , Andreadou Ioanna , Alexopoulos Dimitrios
Published: June 2021

We compared the effects of Heat-not-Burn cigarette (HNBC) to those of tobacco cigarette (Tcig), on myocardial, coronary and arterial function as well as on oxidative stress and platelet activation in 75 smokers. In the acute study, 50 smokers were randomised into smoking a single Tcig or a HNBC and after 60 min were crossed-over to the alternate smoking. For chronic phase, 50 smokers were switched to HNBC and were compared with an external group of 25 Tcig smokers before and after 1 month. Exhaled carbon monoxide (CO), pulse wave velocity (PWV), malondialdehyde (MDA) and thromboxane B2 (TxB2) were assessed in the acute and chronic study. Global longitudinal strain (GLS), myocardial work index (GWI), wasted myocardial work (GWW), coronary flow reserve (CFR), total arterial compliance (TAC) and flow-mediated dilation (FMD) were assessed in the chronic study. Acute HNBC smoking caused a smaller increase of PWV than Tcig (change 1.1 vs 0.54 m/s, p < 0.05) without change in CO and biomarkers in contrast to Tcig. Compared to Tcig, switching to HNBC for 1-month improved CO, FMD, CFR, TAC, GLS, GWW, MDA, TxB2 (differences 10.42 ppm, 4.3%, 0.98, 1.8 mL/mmHg, 2.35%, 19.72 mmHg%, 0.38 nmol/L and 45 pg/mL respectively, p < 0.05). HNBCs exert a less detrimental effect on vascular and cardiac function than tobacco cigarettes.

Trial registration Registered on https://clinicaltrials.gov/ (NCT03452124, 02/03/2018).
Denosumab versus romosozumab for postmenopausal osteoporosis treatment
Authors: Kobayakawa Tomonori , Miyazaki Akiko , Saito Makoto , Suzuki Takako , Takahashi Jun , Nakamura Yukio
Published: June 2021

Denosumab and romosozumab, a recently approved new drug, are effective and widely known molecular-targeted drugs for postmenopausal osteoporosis treatment. However, no studies have directly compared their therapeutic effects or safety in postmenopausal osteoporosis. This retrospective observational registry study compared the efficacy of 12-month denosumab or romosozumab treatment in postmenopausal osteoporosis patients. The primary outcome was the change in bone mineral density (BMD) at the lumbar spine. Secondary outcomes included BMD changes at the total hip and femoral neck, changes in bone turnover markers, and adverse events. Propensity score matching was employed to assemble patient groups with similar baseline characteristics. Sixty-nine patients each received either denosumab or romosozumab for 12 months. The mean 12-month percentage change from baseline in lumbar spine BMD was 7.2% in the denosumab group and 12.5% in the romosozumab group, indicating a significant difference between the groups. The percentage changes in BMD at both the total hip and femoral neck were also significantly higher at 12 months in the romosozumab group than in the denosumab group. In denosumab patients, bone formation and bone resorption markers were significantly decreased at 6 and 12 months from baseline. In the romosozumab group, the bone formation marker was significantly increased at 6 months and then returned to baseline, while the bone resorption marker was significantly decreased at both time points. Adverse events were few and predominantly minor in both groups, with no remarkable difference in the incidence of new vertebral fractures. Romosozumab showed a higher potential for improving BMD than denosumab in this clinical study of postmenopausal osteoporosis patient treatment.
Accelerating deployment of offshore wind energy alter wind climate and reduce future power generation potentials
Authors: Akhtar Naveed , Geyer Beate , Rockel Burkhardt , Sommer Philipp S. , Schrum Corinna
Published: June 2021

The European Union has set ambitious CO2 reduction targets, stimulating renewable energy production and accelerating deployment of offshore wind energy in northern European waters, mainly the North Sea. With increasing size and clustering, offshore wind farms (OWFs) wake effects, which alter wind conditions and decrease the power generation efficiency of wind farms downwind become more important. We use a high-resolution regional climate model with implemented wind farm parameterizations to explore offshore wind energy production limits in the North Sea. We simulate near future wind farm scenarios considering existing and planned OWFs in the North Sea and assess power generation losses and wind variations due to wind farm wake. The annual mean wind speed deficit within a wind farm can reach 2–2.5 ms−1 depending on the wind farm geometry. The mean deficit, which decreases with distance, can extend 35–40 km downwind during prevailing southwesterly winds. Wind speed deficits are highest during spring (mainly March–April) and lowest during November–December. The large-size of wind farms and their proximity affect not only the performance of its downwind turbines but also that of neighboring downwind farms, reducing the capacity factor by 20% or more, which increases energy production costs and economic losses. We conclude that wind energy can be a limited resource in the North Sea. The limits and potentials for optimization need to be considered in climate mitigation strategies and cross-national optimization of offshore energy production plans are inevitable.
Outcome after kidney transplantation in hepatitis B surface antigen-positive patients
Authors: Mo Hyejin , Min Sangil , Han Ahram , Jung In Mok , Ha Jongwon
Published: June 2021

Few reports detail the actual outcome of Hepatitis B Surface Antigen-positive patients after kidney transplant. HBsAg-positive patients who underwent kidney transplant between January, 1999, and December, 2018, were reviewed retrospectively. Outcomes including hepatitis B reactivation rate, risk factors for reactivation, and patient and graft survival rates were analyzed. Seventy-seven patients were enrolled (47.1 ± 11.5 years old). Patients received ABO-incompatible (n = 5), crossmatch positive transplant (n = 2), and re-transplant (n = 4). Forty-six patients received prophylactic; 19, medication at least 3 months before the transplant; and 12, did not receive medication. Seventeen out of 76 patients developed reactivation post-transplant. 52.9% of HBV reactivation was accompanied by hepatitis. Inappropriate, other than lifelong prophylactic, antiviral agents (HR = 7.34, 95% CI 1.51–35.69, P = 0.01) and high hepatitis DNA (≥ 1000 IU/ml) pre-transplant (HR = 4.39, 95% CI 1.08–17.81, P = 0.04) increased reactivation risk. There was no significant difference in patient and graft survival between antigen positive patients who received antiviral agent and propensity score matched negative patients. HBsAg positivity in kidney transplant recipients is associated with substantial HBV reactivation rate. Lifelong antiviral therapy is mandatory, and patients with high preop HBV titer should be monitored closely for HBV reactivation.
Risk of herpes zoster in psoriasis patients receiving systemic therapies: a nationwide population-based cohort study
Authors: Ting Sze-Wen , Ting Sze-Ya , Lin Yu-Sheng , Lin Ming-Shyan , Kuo George
Published: June 2021

The incidence of herpes zoster in psoriasis patients is higher than in the general population. However, the association between herpes zoster risk and different systemic therapies, especially biologic agents, remains controversial. This study investigated the association between herpes zoster risk and several systemic antipsoriasis therapies. This prospective open cohort study was conducted using retrospectively collected data from the Taiwan National Health Insurance Research Database. We included 92,374 patients with newly diagnosed psoriasis between January 1, 2001, and December 31, 2013. The exposure of interest was the “on-treatment” effect of systemic antipsoriasis therapies documented by each person-quarter. The outcome was the occurrence of newly diagnosed herpes zoster. During a mean follow-up of 6.8 years, 4834 (5.2%) patients were diagnosed with herpes zoster after the index date. Among the systemic antipsoriasis therapies, etanercept (hazard ratio [HR] 4.78, 95% confidence interval [CI] 1.51–15.17), adalimumab (HR 5.52, 95% CI 1.72–17.71), and methotrexate plus azathioprine (HR 4.17, 95% CI 1.78–9.82) were significantly associated with an increased risk of herpes zoster. By contrast, phototherapy (HR 0.76, 95% CI 0.60–0.96) and acitretin (HR 0.39, 95% CI 0.24–0.64) were associated with a reduced risk of herpes zoster. Overall, this study identified an association of both etanercept and adalimumab with an increased risk of herpes zoster among psoriasis patients. Acitretin and phototherapy were associated with a reduced risk.
Author Correction: Human SARS-CoV-2 has evolved to reduce CG dinucleotide in its open reading frames
Authors: Wang Yong , Mao Jun‑Ming , Wang Guang‑Dong , Luo Zhi‑Peng , Yang Liu , Yao Qin , Chen Ke‑Ping
Published: June 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Ascorbic acid during the suckling period is required for proper DNA demethylation in the liver
Authors: Kawahori Kenichi , Kondo Yoshitaka , Yuan Xunmei , Kawasaki Yuki , Hanzawa Nozomi , Tsujimoto Kazutaka , Wada Fumiko , Kohda Takashi , Ishigami Akihito , Yamada Tetsuya , Ogawa Yoshihiro , Hashimoto Koshi
Published: June 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme
Authors: Lázaro Melisa , Melero Roberto , Huet Charlotte , López-Alonso Jorge P. , Delgado Sandra , Dodu Alexandra , Bruch Eduardo M. , Abriata Luciano A. , Alzari Pedro M. , Valle Mikel , Lisa María-Natalia
Published: June 2021

Glutamate dehydrogenases (GDHs) are widespread metabolic enzymes that play key roles in nitrogen homeostasis. Large glutamate dehydrogenases composed of 180 kDa subunits (L-GDHs180) contain long N- and C-terminal segments flanking the catalytic core. Despite the relevance of L-GDHs180 in bacterial physiology, the lack of structural data for these enzymes has limited the progress of functional studies. Here we show that the mycobacterial L-GDH180 (mL-GDH180) adopts a quaternary structure that is radically different from that of related low molecular weight enzymes. Intersubunit contacts in mL-GDH180 involve a C-terminal domain that we propose as a new fold and a flexible N-terminal segment comprising ACT-like and PAS-type domains that could act as metabolic sensors for allosteric regulation. These findings uncover unique aspects of the structure-function relationship in the subfamily of L-GDHs.
Exosome loaded immunomodulatory biomaterials alleviate local immune response in immunocompetent diabetic mice post islet xenotransplantation
Authors: Mohammadi M. Rezaa , Rodriguez Samuel Mathew , Luong Jennifer Cam , Li Shiri , Cao Rui , Alshetaiwi Hamad , Lau Hien , Davtyan Hayk , Jones Mathew Blurton , Jafari Mahtab , Kessenbrock Kai , Villalta S. Armando , de Vos Paul , Zhao Weian , Lakey Jonathan R. T.
Published: June 2021

Foreign body response (FBR) to biomaterials compromises the function of implants and leads to medical complications. Here, we report a hybrid alginate microcapsule (AlgXO) that attenuated the immune response after implantation, through releasing exosomes derived from human Umbilical Cord Mesenchymal Stem Cells (XOs). Upon release, XOs suppress the local immune microenvironment, where xenotransplantation of rat islets encapsulated in AlgXO led to >170 days euglycemia in immunocompetent mouse model of Type 1 Diabetes. In vitro analyses revealed that XOs suppressed the proliferation of CD3/CD28 activated splenocytes and CD3+ T cells. Comparing suppressive potency of XOs in purified CD3+ T cells versus splenocytes, we found XOs more profoundly suppressed T cells in the splenocytes co-culture, where a heterogenous cell population is present. XOs also suppressed CD3/CD28 activated human peripheral blood mononuclear cells (PBMCs) and reduced their cytokine secretion including IL-2, IL-6, IL-12p70, IL-22, and TNFα. We further demonstrate that XOs mechanism of action is likely mediated via myeloid cells and XOs suppress both murine and human macrophages partly by interfering with NFκB pathway. We propose that through controlled release of XOs, AlgXO provide a promising new platform that could alleviate the local immune response to implantable biomaterials.
Padlock probe-based rolling circle amplification lateral flow assay for point-of-need nucleic acid detection
Authors: Jain Sidhartha , Dandy David S. , Geiss Brian J. , Henry Charles S.
Published: June 2021

Sensitive, reliable and cost-effective detection of pathogens has wide ranging applications in clinical diagnostics and therapeutics, water and food safety, environmental monitoring, biosafety and epidemiology.
An enhanced fluorescence detection of a nitroaromatic compound using bacteria embedded in porous poly lactic-co-glycolic acid microbeads
Authors: Qiao Tian , Kim Soohyun , Lee Wonmok , Lee Hyunjung
Published: June 2021

The enhanced sensing performance of green fluorescence protein-based sensor for the nitroaromatic compound detection.
Selective colorimetric sensing of sub-nanomolar Hg2+ based on its significantly enhancing peroxidase mimics of silver/copper nanoclusters
Authors: Cai Yuanyuan , Wang Jin , Niu Lingxi , Zhang Yujiao , Liu Xuan , Liu Chongyang , Yang Shuqing , Qi Huan , Liu Aihua
Published: June 2021

A simple colorimetric sensing strategy for Hg2+ ions was developed using silver/copper nanoclusters (Ag/Cu NCs) with excellent selectivity and sensitivity.
Development of a miniature time-of-flight mass spectrometer coupled with an improved substrate-enhanced laser-induced acoustic desorption source (SE-LIAD/TOF-MS)
Authors: Yu Jingxiong , Chen Yuwan , Zhang Jiangle , Chen Shanjun , Wang Qiaolin , Qin Zhengbo , Tang Zichao
Published: June 2021

In contrast to the normal LIAD method, the enhanced signals were obtained using substrate-enhanced LIAD source (SE-LIAD) being about 5-fold to 14-fold enhancement.
A cucurbituril–pillararene ring-on-ring complex
Authors: Zhang Dejun , Tang Hao , Zhang Guozhen , Wang Lingyun , Cao Derong
Published: June 2021

A water-soluble ring-on-ring complex was formed by the portal binding between a perfunctionalized polycationic pillar[5]arene (TPT[5]) and a cucur-bit[10]uril (CB[10]). Different binding behaviours were observed for different guests.
A simple tactic synthesis of hollow porous graphitic carbon nitride with significantly enhanced photocatalytic performance
Authors: Balakumar Vellaichamy , Manivannan Ramalingam , Chuaicham Chitiphon , Karthikeyan Sekar , Sasaki Keiko
Published: June 2021

A simple tactic synthesis of hollow porous graphitic carbon nitride was demonstrated. The porous material exhibits increased light absorption, interfacial charge transfer and separation, in addition to a decrease in recombination tendency.
One-step dynamic fabrication of asymmetric multi-layered porous films for sustained drug delivery
Authors: Cui Pengcheng , Wu Silong , Xie Jun , Ma Jiaying , Ding Lingyun , Olasoju Oluseyi S. , Cao Yongjian , Li Yaqi , Shen Liyan , Sun Wei
Published: June 2021

Asymmetric multi-layered porous films with ordered/disordered composite pore arrays were prepared using a one-step procedure.
An organic–inorganic hybrid birefringent material with diverse functional groups
Authors: Chen Yangxin , Zhu Tingting , Xiong Zheyao , Zhou Yang , Li Yanqiang , Ding Qingran , Liu Youchao , Chen Xin , Zhao Sangen , Luo Junhua
Published: June 2021

A synergistic effect of diverse functional groups leads to an organic–inorganic hybrid birefringent material (CN4H7)SbC2O4F2(H2O)0.5, which exhibits a birefringent response (Δn = 0.126@546 nm) that is almost equal to that of the famous α-BaB2O4.
Site-selective D2O-mediated deuteration of diaryl alcohols via quantum dots photocatalysis
Authors: Nan Xiao-Lei , Wang Yao , Li Xu-Bing , Tung Chen-Ho , Wu Li-Zhu
Published: June 2021

Owing to the high synthetic value of deuteration in the pharmaceutical industry, we describe herein the conversions of a range of aromatic ketones to deuterium-labeled products in good to excellent yields.
Many-electron dynamics in laser-driven molecules: wavefunction theory vs. density functional theory
Authors: Bedurke Florian , Klamroth Tillmann , Saalfrank Peter
Published: June 2021

Molecules excited by laser pulses give rise to High Harmonic Generation and other responses. These are computed here with time-dependent configuration interaction and density functional theories, two popular many-electron methods.
Molecular insights into the binding variance of the SARS-CoV-2 spike with human, cat and dog ACE2 proteins
Authors: Zang Yongjian , Li Xuhua , Zhao Yizhen , Wang He , Hao Dongxiao , Zhang Lei , Yang Zhiwei , Yuan Xiaohui , Zhang Shengli
Published: June 2021

The motion pattern of the zinc metallopeptidase domain of ACE2 reveals the variance of the RBD binding with hACE2, cACE2 and dACE2.
Observation of microsecond luminescence while studying two DNA-stabilized silver nanoclusters emitting in the 800–900 nm range
Authors: Rück Vanessa , Cerretani Cecilia , Neacşu Vlad A. , Liisberg Mikkel B. , Vosch Tom
Published: June 2021

Photophysical characterization of two DNA-AgNCs emitting in the 800–900 nm range and the observation of microsecond luminescence.
Construction of MOF-shell porous materials and performance studies in the selective adsorption and separation of benzene pollutants
Authors: Qiao Yu , Lv Na , Li Dong , Li Hongji , Xue Xiangxin , Jiang Wei , Xu Zhanlin , Che Guangbo
Published: June 2021

A novel hollow HKUST-1 shell was successfully synthesized by in-situ growth technology and used as an adsorbent for the removal of nitrobenzene from aqueous solution.
Identifying the preferential pathways of CO2 capture and hydrogenation to methanol over an Mn(i)–PNP catalyst: a computational study
Authors: Mandal Shyama Charan , Pathak Biswarup
Published: June 2021

Mechanistic pathways for direct CO2 capture to oxazolidinone, followed by oxazolidinone hydrogenation to methanol in the presence of a bifunctional Mn(i)–PNP based catalyst.
Heterometallic Co–Dy SMMs grafted on iron oxide nanoparticles
Authors: Rosado Piquer Lidia , Dreiser Jan , Sañudo E. Carolina
Published: June 2021

Molecular spintronic applications require that SMMs remain intact and retain their magnetic properties when deposited on a substrate. An organic spacer between the SMM and magnetic surface helps the SMM retain its magnetic properties on the surface.
A simple preparation process for an efficient nano-formulation: small molecule self-assembly based on spinosad and sulfamic acid
Authors: Tian Yuyang , Tang Gang , Li Yan , Zhou Zhiyuan , Chen Xi , Gao Yunhao , Niu Junfan , Yang Jiale , Tang Jingyue , Zhang Yunpeng , Zhang Xiaolin , Cao Yongsong
Published: June 2021

The abuse of toxic organic solvents and surfactants has caused immeasurable damage to human health and the environment.
Peroxodisulfate-assisted three-component benzylation of coumarins with styrenes and KSCN: a transition-metal-free approach for the synthesis of 3-(1-aryl-2-thiocyanatoethyl)-2H-chromen-2-one in ethyl lactate
Authors: Natarajan Palani , Priya  , Chuskit Deachen
Published: June 2021

Peroxodisulfate-assisted three-component benzylation of coumarins with styrenes and KSCN to 3-(1-aryl-2-thiocyanatoethyl)-2H-chromen-2-one is reported for the first time.
AbCellera's success is unprecedented: what have we learned?
Authors: Sinton David , Kelley Shana O.
Published: June 2021

The search for antibody therapeudic candidates is a timely and important challenge well-suited to lab on a chip approaches.
An easily fabricated palladium nanocatalyst on magnetic biochar for Suzuki–Miyaura and aryl halide cyanation reactions
Authors: Turunç Ersan , Akay Sema , Baran Talat , Kalderis Dimitrios , Tsubota Toshiki , Kayan Berkant
Published: June 2021

A sustainable biochar material for the synthesis of a novel heterogeneous catalyst for organic reactions is reported.
Development of an electrochemical sensor based on a cobalt oxide/tin oxide composite for determination of antibiotic drug ornidazole
Authors: Koventhan Chelliah , Vinothkumar Venkatachalam , Chen Shen-Ming
Published: June 2021

A schematic illustration of the electrochemical performance towards sensing of ODZ at the Co3O4/SnO2/GCE.
Water-assisted proton conductivity of two lanthanide-based supramolecules
Authors: Mu Chen-Yu , Tao Zhi-Xiong , Wang Hong-Wei , Xue Miao , Wang Qing-Xu , Li Gang
Published: June 2021

At 98% RH and 100 °C, the best σ values of 0.87 × 10−4 S cm−1 for 1 and 1.58 × 10−4 S cm−1 for 2 were observed, which remained essentially constant during 8 hours of continuous measurement.
The polymeric glyco-linker controls the signal outputs for plasmonic gold nanorod biosensors due to biocorona formation
Authors: Pancaro Alessia , Szymonik Michal , Georgiou Panagiotis G. , Baker Alexander N. , Walker Marc , Adriaensens Peter , Hendrix Jelle , Gibson Matthew I. , Nelissen Inge
Published: June 2021

Glycosylated gold nanorods are shown to have distinct binding responses in buffer, compared to serum, due to the formation of a biocorona which is displaced during lectin binding.
Design of metal–organic framework composites in anti-cancer therapies
Authors: Zheng Yadan , Zhang Xiaoyuan , Su Zhiqiang
Published: June 2021

This review focuses on different types of metal–organic frameworks (MOFs) and MOF composites, and their biomedical applications in the anti-cancer field.
Reversible addition–fragmentation chain transfer polymerization of myrcene derivatives: an efficient access to fully bio-sourced functional elastomers with recyclable, shape memory and self-healing properties
Authors: Luo Wanwei , Yang Panpan , Gan Qiao , Zhao Ziyue , Tang Fuming , Xu Yuechao , Jia Xiaoyu , Gong Dirong
Published: June 2021

The rubber industry has been faced with critical challenges including unsustainable fossil-based monomer sources, lack of functionality and growing environmental concerns of waste vulcanizates.
An intramolecularly self-templated synthesis of macrocycles: self-filling effects on the formation of prismarenes
Authors: Della Sala Paolo , Del Regno Rocco , Di Marino Luca , Calabrese Carmela , Palo Carmine , Talotta Carmen , Geremia Silvano , Hickey Neal , Capobianco Amedeo , Neri Placido , Gaeta Carmine
Published: June 2021

Ethyl- and propyl-prism[6]arenes are obtained by an intramolecular thermodynamic self-template effect: the self-filling of the internal cavity stabilizes their cuboid structure, driving the equilibrium toward their formation.
Lithium in NGC 2243 and NGC 104
Authors: Aoki M. , Primas F. , Pasquini L. , Weiss A. , Salaris M. , Carollo D.
Published: June 2021

Aims.Our aim was to determine the initial Li content of two clusters of similar metallicity but very different ages, the old open cluster NGC 2243 and the metal-rich globular cluster NGC 104.

Methods.We compared the lithium abundances derived for a large sample of stars (from the turn-off to the red giant branch) in each cluster. For NGC 2243 the Li abundances are from the catalogues released by theGaia-ESO Public Spectroscopic Survey, while for NGC 104 we measured the Li abundance using FLAMES/GIRAFFE spectra, which include archival data and new observations. We took the initial Li of NGC 2243 to be the lithium measured in stars on the hot side of the Li dip. We used the difference between the initial abundances and the post first dredge-up Li values of NGC 2243, and by adding this amount to the post first dredge-up stars of NGC 104 we were able to infer the initial Li of this cluster. Moreover, we compared our observational results to the predictions of theoretical stellar models for the difference between the initial Li abundance and that after the first dredge-up.

Results.The initial lithium content of NGC 2243 was found to be A(Li)i= 2.85 ± 0.09 dex by taking the average Li abundance measured from the five hottest stars with the highest lithium abundance. This value is 1.69 dex higher than the lithium abundance derived in post first dredge-up stars. By adding this number to the lithium abundance derived in the post first dredge-up stars in NGC 104, we infer a lower limit of its initial lithium content of A(Li)i= 2.34 ± 0.13 dex. Stellar models predict similar values. Therefore, our result offers important insights for further theoretical developments.
The adaptive potential of newborn calves under conditions of technogenic anthropobiocenosis
Authors: Saenko Natalia , Lemeshchenko Vladimir , Lukashik Galina , Nekhaychuk Elena , Skobelskaya Tatiana
Published: June 2021

The article analyzes the organismal status that determines the adaptive potential of newborn calves to the conditions of technogenic anthropobiocenosis. A complex of zootechnical, clinical, hematological, morphological and statistical methods of research was used. Structural and functional changes in the fetal parts of the placentas of cows arise as a result of the aggressive impact on the mother's body of modern ecosystem conditions and determine the peculiarities of the body status of newborn calves. Determining the adaptive capabilities of one-day-old calves, including the morphology of their fetal part of the placenta, is of great importance not only for correcting the technology of growing and feeding, but also for carrying out preventive measures against infectious diseases. To create a healthy dairy herd of cows with a high degree of realization of the genetic capacities of productivity, we recommend using the developed criteria for assessing the body status of newborn calves. Keywords. Аdaptive potential, newborn calves, anthropobiocenosis, organismic status, fetal parts of the placenta.
Bivalve mollusk fauna and ecological groups of Unionidae and Corbiculidae families in natural and artificial reservoirs of Uzbekistan
Authors: Boymurodov Kh. , Suyarov S.
Published: June 2021

The length of the rivers in Uzbekistan and the presence of all the biotopes in the mollusks have made they a favourable reservoir for the mollusks. However, it should be noted that all species in the rivers differ in their density. Rivers and fishery farms play a great role in formation of bivalve mollusks fauna in the canals. It was studied the fishery farms of the Syrdarya River and its surroundings have a major effect on the fauna of the Mirzachul and South Mirzachul canals; the Zarafshan River’s effect on spreading of bivalve mollusks in the Dargom and Eskiankhor canals; the Amudarya River and its surrounding areas influence of fishery farms on the fauna of the Amu-Bukhara, Kizketgan and Karshi main canals. Colletopterum family breeds in the water studied, do not show any superiority in natural or artificial reservoirs compared to other breeds. Three species of these family are included in the Red Book of the Republic of Uzbekistan (C.baсtrianum, C. cyreum sogdianum, C. kokandicum). C. Bactrianum can be found only in rivers in the middle Zarafshan and Amudarya, in the Syrdarya river (Syrdarya Region only), in the reservoir and in the fishery farms only in Chelak, and the canals only in the Tuyatortar and Mirzachul canals.
Impact of natural fires on the vegetation cover of steppe and forest-steppe zones (European part of Russia, Middle Volga region)
Authors: Ilyina Valentina , Mitroshenkova Anna , Senator Stepan , Solovyeva Vera , Rogov Stanislav
Published: June 2021

The effect of natural fires on the vegetation cover of steppe and forest-steppe zones in the south-east of European Russia (the middle course of the Volga River) has been evaluated. The research used methods of studying biosystems at organism, species, population and cenotic levels. The study revealed the possibility of regrowth of aboveground plant parts after fires, changes in the population structure of species, and resistance of populations and zonal plant communities to the effects of natural fires. The most vulnerable among zonal vegetation types are pine forests, feather-grass and petrophytic steppes. Frequency, intensity and area of natural fires in the Middle Volga region cause significant changes in the structure of vegetation cover and reduction of biodiversity. The results obtained in the study of the impact of fires on vegetation can be used in the planning and implementation of environmental and reforestation measures.
Variability of morphophysiological parameters of Chenopodium album and Taraxacum officinale in the conditions of Kazan
Authors: Arkhipova Natalya S. , Ibragimova Kadriy K. , Ilyasova Alisa R.
Published: June 2021

One of the promising methods for the integral assessment of the quality of the environment and the vital activity of herbaceous plants is the assessment of the state of living organisms by the morphometric characters development stability. The study revealed an increase in the variability of morphological characters in the plants of lamb's quarters (Chenopodium album) and milk-witch gowan (Taraxacum officinalis) in areas with a high level of technogenic pollution. Phenotypes with smaller sizes of vegetative organs prevailed there, as compared with the area with a low level of pollution. At the same time, viable seeds and seedlings were formed in the plants of urban cenoses.