bluuebunny/crossref_metadata_2025 huggingface dataset:
North Asian population relationships in a global context
Authors: Kidd Kenneth K. , Evsanaa Baigalmaa , Togtokh Ariunaa , Brissenden Jane E. , Roscoe Janet M. , Dogan Mustafa , Neophytou Pavlos I. , Gurkan Cemal , Bulbul Ozlem , Cherni Lotfi , Speed William C. , Murtha Michael , Kidd Judith R. , Pakstis Andrew J.
Published: May 2022

Population genetic studies of North Asian ethnic groups have focused on genetic variation of sex chromosomes and mitochondria. Studies of the extensive variation available from autosomal variation have appeared infrequently. We focus on relationships among population samples using new North Asia microhaplotype data. We combined genotypes from our laboratory on 58 microhaplotypes, distributed across 18 autosomes, on 3945 individuals from 75 populations with corresponding data extracted for 26 populations from the Thousand Genomes consortium and for 22 populations from the GenomeAsia 100 K project. A total of 7107 individuals in 122 total populations are analyzed using STRUCTURE, Principal Component Analysis, and phylogenetic tree analyses. North Asia populations sampled in Mongolia include: Buryats, Mongolians, Altai Kazakhs, and Tsaatans. Available Siberians include samples of Yakut, Khanty, and Komi Zyriane. Analyses of all 122 populations confirm many known relationships and show that most populations from North Asia form a cluster distinct from all other groups. Refinement of analyses on smaller subsets of populations reinforces the distinctiveness of North Asia and shows that the North Asia cluster identifies a region that is ancestral to Native Americans.
Opioid trends in Finland: a register-based nationwide follow-up study
Authors: Keto Jaana , Heiskanen Tarja , Hamunen Katri , Kalliomäki Maija-Liisa , Linna Miika
Published: May 2022

The opioid epidemic in the U.S has gotten payers, prescribers, and policymakers alike interested in trends in opioid use. Despite no recognized opioid crisis in Europe, several countries have reported an increase in opioid-related deaths, which has further prompted discussion on the need of monitoring of opioid prescriptions. This study was conducted to offer information on opioid use during the escalation of the U.S. opioid epidemic in Finland, a Nordic country with universal tax-based health care. This is a nationwide retrospective register-based cohort study on all individuals in Finland who were dispensed opioids in 2009–2017 (n of unique patients = 1,761,584). By using the unique personal identification code assigned to every Finnish resident, we linked data from nationwide registers on dispensed drugs, medical history, and socio-demographic parameters. We report a wide set of patient demographics, dispensing trends for all opioid Anatomical Therapeutic Chemical (ATC) classes, and reasons for opioid initiation based on diagnostic coding for the most recent health care visit. For a cohort of incident opioid users with a four-year wash-out period (n = 1 370 057), we also present opioid use patterns in a three-year follow-up: the likelihood of becoming a persistent user or escalating from weak to strong opioids. A steady 7% of the Finnish population were dispensed opioids annually in 2009-2017. The mean annual quantity of dispensed opioids per opioid patient increased between 2009 and 2017 by 33%, reaching 2 583 oral morphine equivalent mg (OMEQ)/patient/year in 2017. The median quantity of dispensed opioids was lower: 315 OMEQ/year/patient. Depending on the opioid ATC class, there were either increasing or decreasing numbers of patients who had been dispensed said opioid class, and also in the mean quantity. The most common reason for opioid initiation was post-surgical pain (20%), followed by musculoskeletal pain (15%), injury (8.3%), and non-postsurgical dental pain (6.2%). 94% of new opioid initiators started with a weak opioid, i.e. codeine or tramadol. 85% of the patients who had been dispensed a weak opioid were not dispensed an opioid subsequently 3–6 months after the first one, and 95% of them had not escalated to a strong opioid in a 3-year follow-up. The number of patients dispensed opioids in Finland did not change during the escalation of the opioid epidemic in the U.S., but there were changes in the quantity of opioids dispensed per patient. Opioid therapy was typically initiated with weak opioid, the initial dispensed prescription was relatively small, and escalation to strong opioids was rare. A considerable share of patients had been prescribed opioids for chronic non-cancer pain - a type of pain where the risk-benefit ratio of opioids is controversial.
Metabolite fingerprinting of phytoconstituents from Fritillaria cirrhosa D. Don and molecular docking analysis of bioactive peonidin with microbial drug target proteins
Authors: Bhat Basharat Ahmad , Mir Wajahat Rashid , Sheikh Bashir Ahmad , Alkanani Mustafa , Mir Manzoor Ahmad
Published: May 2022

Fritillaria cirrhosa D. Don (Liliaceae), a valuable and critically endangered medicinal herb of northwest India, including Jammu and Kashmir, grows in temperate to alpine regions of the Himalaya. It is known as the traditional herb for cardiovascular diseases, respiratory diseases, and metabolic disorders. The plant bulbs are precious and are used to cure many other health complications. The current study analysed the phytoconstituents by liquid chromatography-mass spectrometry (LC–MS) of different crude extracts (methanolic, petroleum ether, and ethyl acetate) of F. cirrhosa. The LC–MS analysis from the bulbs of F. cirrhosa yielded 88 bioactive compounds, with the vast majority having therapeutic applications. Further, determination of minimum inhibitory concentrations (MICs) by broth microdilution method of F. cirrhosa against tested bacterial and fungal pathogens showed remarkable results with MICs ranging between 6.25–200 µg/mL and 50–400 µg/mL, respectively. Subsequently, these 88 identified phytocompounds were tested for their bioactivity through ADMET prediction by SwissADME and in silico molecular docking studies. Results revealed that Peonidin might have maximum antibacterial and antifungal activity against various microbial protein drug targets among the phytochemical compounds identified. Furthermore, the highest binding affinity complex was subjected to molecular dynamic simulation (MDS) analysis using Desmond Schrodinger v3.8. The root-mean-square deviation (RMSD) graphs obtained through the molecular dynamic simulations indicated the true bonding interactions, further validated using the root-mean-square fluctuation (RMSF) graphs which provided a better understanding of the amino acids present in the proteins responsible for the molecular motions and fluctuations. To our best knowledge, this is the first description of the phytochemical constituents of the bulbs of F.cirrhosa analyzed through LC–MS, which show pharmacological significance. The in silico molecular docking and molecular dynamics study of peonidin was also performed to confirm its broad-spectrum activities based on the binding interactions with the antibacterial and antifungal target proteins. The present study results will create a way for the invention of herbal medicines for several ailments by using F. cirrhosa plants, which may lead to the development of novel drugs.
Clinical features of acute focal bacterial nephritis in adults
Authors: Jiao Sumin , Yan Zhe , Zhang Congqin , Li Juan , Zhu Jiaomei
Published: May 2022

Acute focal bacterial nephritis (AFBN) is a localized bacterial infection of the kidneys presenting as an inflammatory mass that can develop into renal abscess. The current reports on AFBN mostly are among children and rarely described in adults. This study was aimed to analyze the clinical features of AFBN in adults and make a review for the disease to give the clinicians some clues to suspect and recognize it in adults. From January 2014 to December 2019, AFBN was diagnosed by contrast-enhanced computed tomography (CT) in 238 adults at the Department of Nephrology, the Second Hospital of Hebei Medical University, Shijiazhuang, China. We reviewed the clinical records of these patients and asked them about their post-discharge status via telephone follow-up. Of all the patients, 195 were female and 43 were male, the median age were 46.87 years. 86.13% presented with fever, 55.89% presented with lower urinary tract symptoms and 97.9% presented with pyuria. In renal ultrasonography, abdominal findings were seen only 22.69% patients. E.coli accounted for 74.73% of the isolated pathogen. After 4 weeks of treatment, the patients had no recurrence of symptoms. We recommend that when a patient presents clinically with acute pyelonephritis, but the fever persist longer after antimicrobial treatment (≥ 4 days in our study), AFBN should be suspected. For the diagnosis, contrast-enhanced CT is the “gold standard”, magnetic resonance imaging (MRI) may be a good option, but the ultrasonography is probably not satisfied. 3–4 weeks of antibiotic therapy may be appropriate for AFBN in adults.
Internal validation and comparison of predictive models to determine success rate of infertility treatments: a retrospective study of 2485 cycles
Authors: Mehrjerd Ameneh , Rezaei Hassan , Eslami Saeid , Ratna Mariam Begum , Khadem Ghaebi Nayyere
Published: May 2022

Infertility is a significant health problem and assisted reproductive technologies to treat infertility. Despite all efforts, the success rate of these methods is still low. Also, each of these methods has side effects and costs. Therefore, accurate prediction of treatment success rate is a clinical challenge. This retrospective study aimed to internally validate and compare various machine learning models for predicting the clinical pregnancy rate (CPR) of infertility treatment. For this purpose, data from 1931 patients consisting of in vitro fertilization (IVF) or intra cytoplasmic sperm injection (ICSI) (733) and intra uterine insemination (IUI) (1196) treatments were included. Also, no egg or sperm donation data were used. The performance of machine learning algorithms to predict clinical pregnancy were expressed in terms of accuracy, recall, F-score, positive predictive value (PPV), brier score (BS), Matthew correlation coefficient (MCC), and receiver operating characteristic. The significance of the features with CPR and AUCs was evaluated by Student's t test and DeLong’s algorithm. Random forest (RF) model had the highest accuracy in the IVF/ICSI treatment. The sensitivity, F1 score, PPV, and MCC of the RF model were 0.76, 0.73, 0.80, and 0.5, respectively. These values for IUI treatment were 0.84, 0.80, 0.82, and 0.34, respectively. The BS was 0.13 and 0.15 for IVF/ICS and IUI, respectively. In addition, the estimated AUCs of the RF model for IVF/ICS and IUI were 0.73 and 0.7, respectively. Some essential features were obtained based on RF ranking for the two datasets, including age, follicle stimulation hormone, endometrial thickness, and infertility duration. The results showed a strong relationship between clinical pregnancy and a woman's age. Also, endometrial thickness and the number of follicles decreased with increasing female age in both treatments.
Novel preparation of functional β-SiC fiber based In2O3 nanocomposite and controlling of influence factors for the chemical gas sensing
Authors: Otgonbayar Zambaga , Jun Joo Young , Youn Cho Kwang , Yul Park Sang , Youl Park Kwang , Oh Won-Chun
Published: May 2022

The gas sensing ability of a pure β-SiC fiber is limited due to its low-sensitivity and selectivity with poor recovery time during a gas sensing test. The combination of functional β-SiC fibers with metal-oxide (MO) can lead to excellent electronic conductivity, boosted chemical activity, and high reaction activity with the target gas and β-SiC–In2O3 sensor material. Influence factors such as amounts of MO, current collectors, and gas species (CO2, O2 and without gas) for the gas sensing ability of β-SiC–In2O3 nanocomposite were determined at standard room temperature (25 °C) and high temperature (350 °C) conditions. The gas sensing ability of the functional β-SiC fiber was significantly enhanced by the loading of In2O3 metal-oxide. In addition, the MO junction on the β-SiC fiber was mainly subjected to the Si–C–O–In bond sensor layer with an effective electron-transfer ability. The gas sensing mechanism was based on the transfer of charges, in which the sensing material acted as an absorber or a donor of charges. The sensor material could use different current- collectors to support the electron transfer and gas sensing ability of the material. A 1:0.5M SiC–In2O3 coated Ni-foil current collector sensor showed better sensing ability for CO2 and O2 gases than other gas sensors at room temperature and high temperature conditions. The sensing result of the electrode was obtained with different current density values without or with gas purging conditions because CO2 and O2 gases had electron acceptor properties. During the gas sensing test, the sensor material donated electrons to target gases. The current value on the CV graph then significantly changed. Our obtained sample analysis data and the gas sensing test adequately demonstrated that MO junctions on functional β-SiC fibers could improve the sensitivity of a sensor material and particularly upgrade the sensor material for gas sensing.
Uncertainty quantification techniques for data-driven space weather modeling: thermospheric density application
Authors: Licata Richard J. , Mehta Piyush M.
Published: May 2022

Machine learning (ML) has been applied to space weather problems with increasing frequency in recent years, driven by an influx of in-situ measurements and a desire to improve modeling and forecasting capabilities throughout the field. Space weather originates from solar perturbations and is comprised of the resulting complex variations they cause within the numerous systems between the Sun and Earth. These systems are often tightly coupled and not well understood. This creates a need for skillful models with knowledge about the confidence of their predictions. One example of such a dynamical system highly impacted by space weather is the thermosphere, the neutral region of Earth’s upper atmosphere. Our inability to forecast it has severe repercussions in the context of satellite drag and computation of probability of collision between two space objects in low Earth orbit (LEO) for decision making in space operations. Even with (assumed) perfect forecast of model drivers, our incomplete knowledge of the system results in often inaccurate thermospheric neutral mass density predictions. Continuing efforts are being made to improve model accuracy, but density models rarely provide estimates of confidence in predictions. In this work, we propose two techniques to develop nonlinear ML regression models to predict thermospheric density while providing robust and reliable uncertainty estimates: Monte Carlo (MC) dropout and direct prediction of the probability distribution, both using the negative logarithm of predictive density (NLPD) loss function. We show the performance capabilities for models trained on both local and global datasets. We show that the NLPD loss provides similar results for both techniques but the direct probability distribution prediction method has a much lower computational cost. For the global model regressed on the Space Environment Technologies High Accuracy Satellite Drag Model (HASDM) density database, we achieve errors of approximately 11% on independent test data with well-calibrated uncertainty estimates. Using an in-situ CHAllenging Minisatellite Payload (CHAMP) density dataset, models developed using both techniques provide test error on the order of 13%. The CHAMP models—on validation and test data—are within 2% of perfect calibration for the twenty prediction intervals tested. We show that this model can also be used to obtain global density predictions with uncertainties at a given epoch.
Variability in frost occurrence under climate change and consequent risk of damage to trees of western Quebec, Canada
Authors: Marquis Benjamin , Bergeron Yves , Houle Daniel , Leduc Martin , Rossi Sergio
Published: May 2022

Climate change affects timings, frequency, and intensity of frost events in northern ecosystems. However, our understanding of the impacts that frost will have on growth and survival of plants is still limited. When projecting the occurrence of frost, the internal variability and the different underlying physical formulations are two major sources of uncertainty of climate models. We use 50 climate simulations produced by a single-initial large climate ensemble and five climate simulations produced by different pairs of global and regional climate models based on the concentration pathway (RCP 8.5) over a latitudinal transect covering the temperate and boreal ecosystems of western Quebec, Canada, during 1955–2099 to provide a first-order estimate of the relative importance of these two sources of uncertainty on the occurrence of frost, i.e. when air temperature is < 0 °C, and their potential damage to trees. The variation in the date of the last spring frost was larger by 21 days (from 46 to 25 days) for the 50 climate simulations compared to the 5 different pairs of climate models. When considering these two sources of uncertainty in an eco-physiological model simulating the timings of budbreak for trees of northern environment, results show that 20% of climate simulations expect that trees will be exposed to frost even in 2090. Thus, frost damage to trees remains likely under global warming.
Polyhydroxyalkanoates production from short and medium chain carboxylic acids by Paracoccus homiensis
Authors: Szacherska Karolina , Moraczewski Krzysztof , Rytlewski Piotr , Czaplicki Sylwester , Ciesielski Sławomir , Oleskowicz-Popiel Piotr , Mozejko-Ciesielska Justyna
Published: May 2022

The aim of this study was to evaluate an effect of short and medium chain carboxylic acids (CAs) rich stream derived from acidogenic mixed culture fermentation of acid whey on polyhydroxyalkanoates (PHAs) synthesis by Paracoccus homiensis and compare it with the impact of individual synthetic CAs. The obtained results confirmed that the analyzed bacterium is able to metabolize synthetic CAs as the only carbon sources in the growth medium with maximum PHAs production yields of 26% of cell dry mass (CDM). The replacement of the individual CAs by a CAs-rich residual stream was found to be beneficial for the Paracoccus homiensis growth. The highest biomass concentration reached about 2.5 g/L with PHAs content of 17% of CDM. The purified PHAs were identified as poly(3-hydroxybutyrate-co-3-hydroxyvalerate) by applying gas chromatography coupled with mass spectrometry, Fourier transform infrared spectroscopic spectra and UV–Vis spectra. Furthermore, a differential scanning calorimetric, thermogravimetric and water contact angle analysis proved that the extracted copolymers have useful properties. The obtained data are promising in the perspective of developing a microbial PHAs production as a part of an integrated valorization process of high CAs content waste-derived streams.
Genomes from Verteba cave suggest diversity within the Trypillians in Ukraine
Authors: Gelabert Pere , Schmidt Ryan W. , Fernandes Daniel M. , Karsten Jordan K. , Harper Thomas K. , Madden Gwyn D. , Ledogar Sarah H. , Sokhatsky Mykhailo , Oota Hiroki , Kennett Douglas J. , Pinhasi Ron
Published: May 2022

The transition to agriculture occurred relatively late in Eastern Europe, leading researchers to debate whether it was a gradual, interactive process or a colonisation event. In the forest and forest-steppe regions of Ukraine, farming appeared during the fifth millennium BCE, associated with the Cucuteni-Trypillia cultural complex (CTCC, ~ 5000–3000 BCE). Across Europe, the Neolithisation process was highly variable across space and over time. Here, we investigate the population dynamics of early agriculturalists from the eastern forest-steppe region based on the analyses of 20 ancient genomes from the site of Verteba Cave (3935–825 cal BCE). Results reveal that the CTCC individuals’ ancestry is related to both western hunter-gatherers and Near Eastern farmers, has no local ancestry associated with Ukrainian Neolithic hunter-gatherers and has steppe ancestry. An Early Bronze Age individual has an ancestry profile related to the Yamnaya expansions but with 20% of ancestry related to the other Trypillian individuals, which suggests admixture between the Trypillians and the incoming populations carrying steppe-related ancestry. A Late Bronze Age individual dated to 980–825 cal BCE has a genetic profile indicating affinity to Beaker-related populations, detected close to 1000 years after the end of the Bell Beaker phenomenon during the third millennium BCE.
Multi-staged gene expression profiling reveals potential genes and the critical pathways in kidney cancer
Authors: Khouja Hamed Ishaq , Ashankyty Ibraheem Mohammed , Bajrai Leena Hussein , Kumar P. K. Praveen , Kamal Mohammad Amjad , Firoz Ahmad , Mobashir Mohammad
Published: May 2022

Cancer is among the highly complex disease and renal cell carcinoma is the sixth-leading cause of cancer death. In order to understand complex diseases such as cancer, diabetes and kidney diseases, high-throughput data are generated at large scale and it has helped in the research and diagnostic advancement. However, to unravel the meaningful information from such large datasets for comprehensive and minute understanding of cell phenotypes and disease pathophysiology remains a trivial challenge and also the molecular events leading to disease onset and progression are not well understood. With this goal, we have collected gene expression datasets from publicly available dataset which are for two different stages (I and II) for renal cell carcinoma and furthermore, the TCGA and cBioPortal database have been utilized for clinical relevance understanding. In this work, we have applied computational approach to unravel the differentially expressed genes, their networks for the enriched pathways. Based on our results, we conclude that among the most dominantly altered pathways for renal cell carcinoma, are PI3K-Akt, Foxo, endocytosis, MAPK, Tight junction, cytokine-cytokine receptor interaction pathways and the major source of alteration for these pathways are MAP3K13, CHAF1A, FDX1, ARHGAP26, ITGBL1, C10orf118, MTO1, LAMP2, STAMBP, DLC1, NSMAF, YY1, TPGS2, SCARB2, PRSS23, SYNJ1, CNPPD1, PPP2R5E. In terms of clinical significance, there are large number of differentially expressed genes which appears to be playing critical roles in survival.
Dynamic magnetic resonance imaging of muscle contraction in facioscapulohumeral muscular dystrophy
Authors: Deligianni Xeni , Santini Francesco , Paoletti Matteo , Solazzo Francesca , Bergsland Niels , Savini Giovanni , Faggioli Arianna , Germani Giancarlo , Monforte Mauro , Ricci Enzo , Tasca Giorgio , Pichiecchio Anna
Published: May 2022

Quantitative muscle MRI (water-T2 and fat mapping) is being increasingly used to assess disease involvement in muscle disorders, while imaging techniques for assessment of the dynamic and elastic muscle properties have not yet been translated into clinics. In this exploratory study, we quantitatively characterized muscle deformation (strain) in patients affected by facioscapulohumeral muscular dystrophy (FSHD), a prevalent muscular dystrophy, by applying dynamic MRI synchronized with neuromuscular electrical stimulation (NMES). We evaluated the quadriceps muscles in 34 ambulatory patients and 13 healthy controls, at 6-to 12-month time intervals. While a subgroup of patients behaved similarly to controls, for another subgroup the median strain decreased over time (approximately 57% over 1.5 years). Dynamic MRI parameters did not correlate with quantitative MRI. Our results suggest that the evaluation of muscle contraction by NMES-MRI is feasible and could potentially be used to explore the elastic properties and monitor muscle involvement in FSHD and other neuromuscular disorders.
Altered functional connectivity in children born very preterm at school age
Authors: Cho Hye Jung , Jeong Hyejin , Park Chan-A , Son Dong Woo , Shim So-Yeon
Published: May 2022

Children born very preterm are at significant risk of neurodevelopmental impairment. This study sought to identify differences in cognitive function in children born very preterm compared to term-born controls and investigate alteration in white matter microstructure and functional connectivity (FC) based on tract-based spatial statistics (TBSS) and resting-state functional MRI, respectively. At 6 years of age, 36 children born very preterm (< 32 weeks' gestation) without major neurological disabilities and 26 term-born controls were tested using the Wechsler Intelligence Scale for Children, 4th edition, and Child Behavior Checklist. Whole-brain deterministic tractography and FC measurements were performed in both groups. The very preterm group had significantly lower intelligence scores than the term-born controls. The TBSS revealed no significant differences between the two groups, whereas FC was significantly increased between the frontoparietal network and the language network and was significantly decreased between the right salience network nodes in the very preterm group. The altered FC patterns between specific regions of the higher-order networks may reflect underlying deficits in the functional network architecture associated with cognitive function. Further studies are needed to demonstrate a direct connection between FC in these regions and cognitive function.
Designing a new alginate-fibrinogen biomaterial composite hydrogel for wound healing
Authors: Soleimanpour Marjan , Mirhaji Samaneh Sadat , Jafari Samira , Derakhshankhah Hossein , Mamashli Fatemeh , Nedaei Hadi , Karimi Mohammad Reza , Motasadizadeh Hamidreza , Fatahi Yousef , Ghasemi Atiyeh , Nezamtaheri Maryam Sadat , Khajezade Mohadese , Teimouri Masoumeh , Goliaei Bahram , Delattre Cédric , Saboury Ali Akbar
Published: May 2022

Wound healing is a complex process and rapid healing necessitates a proper micro-environment. Therefore, design and fabrication of an efficacious wound dressing is an impressive innovation in the field of wound healing. The fabricated wound dressing in this scenario was designed using a combination of the appropriate coagulating and anti-bacterial materials like fibrinogen (as coagulating agent), nisin (as anti-bacterial agent), ethylenediaminetetraacetic acid (as anti-bacterial agent), and alginate (as wound healing agent). Biophysical characterization showed that the interaction of fibrinogen and alginate was associated with minor changes in the secondary structure of the protein. Conformational studies showed that the protein was structurally stable at 42 °C, is the maximum temperature of the infected wound. The properties of the hydrogel such as swelling, mechanical resistance, nisin release, antibacterial activity, cytotoxicity, gel porosity, and blood coagulation were assessed. The results showed a slow release for the nisin during 48 h. Antibacterial studies showed an inhibitory effect on the growth of Gram-negative and Gram-positive bacteria. The hydrogel was also capable to absorb a considerable amount of water and provide oxygenation as well as incorporation of the drug into its structure due to its sufficient porosity. Scanning electron microscopy showed pore sizes of about 14–198 µm in the hydrogel. Cell viability studies indicated high biocompatibility of the hydrogel. Blood coagulation test also confirmed the effectiveness of the synthesized hydrogel in accelerating the process of blood clot formation. In vivo studies showed higher rates of wound healing, re-epithelialization, and collagen deposition. According to the findings from in vitro as well as in vivo studies, the designed hydrogel can be considered as a novel attractive wound dressing after further prerequisite assessments.
Short pulse and directional thalamic deep brain stimulation have differential effects in parkinsonian and essential tremor
Authors: Hidding Ute , Schaper Miriam , Gulberti Alessandro , Buhmann Carsten , Gerloff Christian , Moll Christian K. E. , Hamel Wolfgang , Choe Chi-un , Pötter-Nerger Monika
Published: May 2022

The aim of this study was to assess the effects of novel stimulation algorithms of deep brain stimulation (short pulse and directional stimulation) in the ventrointermediate thalamus and posterior subthalamic area (VIM/PSA-DBS) on tremor in Parkinson’s disease (PD) and to compare the effects with those in essential tremor (ET). We recruited six PD patients (70.8 ± 10.4 years) and seven ET patients (64.4 ± 9.9 years) with implanted VIM/PSA-DBS in a stable treatment condition (> 3 months postoperatively). Tremor severity and ataxia were assessed in four different stimulation conditions in a randomized order: DBS switched off (STIM OFF), omnidirectional stimulation with 60 µs (oDBS60), omnidirectional stimulation with 30 µs (oDBS30), directional stimulation at the best segment with 60 µs (dDBS60). In both patient groups, all three DBS stimulation modes reduced the total tremor score compared to STIM OFF, whereas stimulation-induced ataxia was reduced by oDBS30 and partially by dDBS60 compared to oDBS60. Tremor reduction was more pronounced in PD than in ET due to a limited DBS effect on intention and action-specific drawing tremor in ET. In PD and ET tremor, short pulse or directional VIM/PSA-DBS is an effective and well tolerated therapeutic option.

Trial registration: The study was registered in the DRKS (ID DRKS00025329, 18.05.2021, German Clinical Trials Register, DRKS—Deutsches Register Klinischer Studien).
Risk factors for antibiotic-resistant bacteria colonisation in children with chronic complex conditions
Authors: Agud Martin , de Medrano Ines , Mendez-Echevarria Ana , Sainz Talia , Román Federico , Ruiz Carrascoso Guillermo , Escosa-Garcia Luis , Molina Amores Clara , Climent Francisco José , Rodríguez Aroa , Garcia-Fernandez de Villalta Marta , Calvo Cristina
Published: May 2022

To assess drug-resistant bacterial colonisation rates and associated risk factors in children with complex chronic conditions admitted to a national reference unit in Spain. Cross-sectional study that included all children admitted to our unit from September 2018 to July 2019. Rectal swabs were obtained to determine multidrug-resistant Gram-negative bacilli (MR-GNB) colonisation, and nasal swab to determine S. aureus and methicillin-resistant S. aureus (MRSA) colonisation. Medical records were reviewed. 100 children were included, with a median of four complex chronic conditions. Sixteen percent had S. aureus colonisation, including two MRSA. S. aureus colonisation was associated with technology-dependent children, while being on antibiotic prophylaxis or having undergone antibiotic therapy in the previous month were protective factors. The prevalence of MR-GNB colonisation was 27%, which was associated with immunosuppressive therapy (aOR 31; 2.02–47]; p = 0.01), antibiotic prophylaxis (aOR 4.56; 1.4–14.86; p = 0.012), previously treated skin-infections (aOR 2.9; 1.07–8.14; p = 0.03), surgery in the previous year (aOR 1.4; 1.06–1.8; p = 0.014), and hospital admission in the previous year (aOR 1.79; [1.26–2.56]; p = 0.001). The rate of S. aureus nasal colonisation in this series was not high despite the presence of chronic conditions, and few cases corresponded to MRSA. Antibiotic prophylaxis, immunosuppressive therapies, history of infections, previous surgeries, and length of admission in the previous year were risk factors for MR-GNB colonisation.
Association of X-linked TLR-7 gene polymorphism with the risk of knee osteoarthritis: a case–control study
Authors: Xi Xutao , Mehmood Arshad , Niu Pengyan , Yang Jinjie , Wang Yintian , Zhou Heyu , Han Xiaohui , Ma Lifen , Jin Shiying , Wu Yinxia
Published: May 2022

Knee osteoarthritis (OA) is the most prevalent type of OA, and Toll-like receptor 7 (TLR7) may lead to the pathogenesis of OA. Recently, X-linked TLR7 polymorphism has been confirmed to be associated with arthritis. However, there is a lack of studies on TLR7 gene polymorphism associated with knee OA susceptibility. The current study aimed to determine whether TLR7 gene polymorphism is associated with the risk of knee OA. Genotyping of two polymorphic sites (rs3853839 and rs179010) in the TLR7 gene was performed in 252 OA patients, and 265 healthy controls using the SNaPshot sequencing technique. Data were analyzed statistically by Chi-square tests and logistic regression. Rs3853839-C allele showed frequencies of 28% and 27% in the healthy control and female knee OA groups, respectively. The differences were not statistically significant (P > 0.05). The rs3853839-CG genotype frequency was significantly lower in the female knee OA group as compared to the healthy control group (OR 0.60; 95%CI 0.36–0.99; P = 0.044). In the male hemizygote population, the rs3853839-CC showed significantly lower frequencies in the male knee OA group as compared to the healthy control group (OR 0.35; 95%CI 0.17–0.71; P = 0.0025). Regarding rs179010, there were no differences in the genotype distribution and allele frequencies between OA patients and healthy subjects under any models (P > 0.05). Stratified analysis showed that the frequency of the rs3853839-CG genotypes was lower in high Kellgren-Lawrence grades (KLG) (OR 0.48; 95%CI 0.21–1.08; P = 0.066), and significantly lower in OA patients with effusion synovitis (OR 0.38; 95%CI 0.17–0.88; P = 0.013). TLR7 rs3853839 polymorphism may play a role in the susceptibility of knee OA in the Chinese Han Population and may be associated with OA severity and the risk of effusion synovitis in Knee OA.
TELEMAC modelling of the influence of the Poyang Lake Hydraulic Project on the habitat of Vallisneria natans
Authors: Xiao Yang , Wang Zixuan , Zhang Taotao , Liang Dongfang , Gu Ran , Yuan Kang
Published: May 2022

The Poyang Lake Hydraulic Project (PLHP) has been proposed to address the water resource shortage and hydro-environment deterioration in Poyang Lake. This proposal has raised concerns over the possible changes to the habitat of aquatic organisms. Vallisneria natans is a main food source for the Siberian Crane, an indicator species for migratory birds in Poyang Lake. In this study, the influence of the PLHP on the habitat suitability of Vallisneria natans is predicted based on a hydrodynamic model and the growth characteristics of Vallisneria natans. The results show that the effect of the PLHP varies greatly in different typical years. The mean monthly habitat area of Vallisneria natans can increase by up to 191% in a low-water-level year, 145% in a medium-water-level year, yet only 18% in a high-water-level year. The habitat area can reach more than 1000 km2 during most of September and October, nearly 1/3 of the total area of the lake region. It indicates that Vallisneria natans will gain large areas of land suitable for its growth, and provide abundant food sources for Siberian Crane during winter. These findings can be helpful to evaluate the ecological benefits of the regulatory schemes of the PLHP.
Cysteine metabolic engineering and selective disulfide reduction produce superior antibody-drug-conjugates
Authors: Procopio-Melino Renée , Kotch Frank W. , Prashad Amar S. , Gomes Jose M. , Wang Wenge , Arve Bo , Dawdy Andrew , Chen Lawrence , Sperry Justin , Hosselet Christine , He Tao , Kriz Ronald , Lin Laura , Marquette Kimberly , Tchistiakova Lioudmila , Somers Will , Rouse Jason C. , Zhong Xiaotian
Published: May 2022

Next-generation site-specific cysteine-based antibody–drug-conjugates (ADCs) broaden therapeutic index by precise drug-antibody attachments. However, manufacturing such ADCs for clinical validation requires complex full reduction and reoxidation processes, impacting product quality. To overcome this technical challenge, we developed a novel antibody manufacturing process through cysteine (Cys) metabolic engineering in Chinese hamster ovary cells implementing a unique cysteine-capping technology. This development enabled a direct conjugation of drugs after chemoselective-reduction with mild reductant tris(3-sulfonatophenyl)phosphine. This innovative platform produces clinical ADC products with superior quality through a simplified manufacturing process. This technology also has the potential to integrate Cys-based site-specific conjugation with other site-specific conjugation methodologies to develop multi-drug ADCs and exploit multi-mechanisms of action for effective cancer treatments.
Immunogenetic clustering of 30 cancers
Authors: James Lisa M. , Georgopoulos Apostolos P.
Published: May 2022

Human leukocyte antigen (HLA) genes have been implicated in cancer risk and shared heritability of different types of cancer. In this immunogenetic epidemiological study we first computed a Cancer-HLA profile for 30 cancer types characterized by the correlation between the prevalence of each cancer and the population frequency of 127 HLA alleles, and then used multidimensional scaling to evaluate the possible clustering of those Cancer-HLA associations. The results indicated the presence of three clusters, broadly reflecting digestive-skin-cervical cancers, reproductive and endocrine systems cancers, and brain and androgen-associated cancers. The clustering of cancer types documented here is discussed in terms of mechanisms underlying shared Cancer-HLA associations.
Shower water usage in Kruger National Park tourist accommodation: effectiveness of technology and information intervention to reduce use
Authors: Smit Izak P. J. , de Bruyn P. J. Nico
Published: May 2022

Human freshwater consumption continues to be a growing global concern.
Anti-tumor activity of polysaccharides extracted fromPinus massonianapollen in colorectal cancer-in vitroandin vivostudies
Authors: Shang Hongqi , Niu Xiangyun , Cui Wenping , Sha Zhou , Wang Cheng , Huang Teng , Guo Ping , Wang Xiangkun , Gao Panpan , Zhang Shuyu , Wei Kai , Zhu Ruiliang
Published: May 2022

PPPS exerts satisfactory antitumor effects in colorectal cancer (CRC).
Effect of Passiflora setacea juice and its phenolic metabolites on insulin resistance markers in overweight individuals and on microglial cell activity
Authors: Duarte Isabella , de Souza Maria Carolina Miranda , Curinga Rafaela Moura , Mendonça Henrique Matos , de Lacerda de Oliveira Livia , Milenkovic Dragan , Hassimotto Neuza Mariko Aymoto , Costa Ana Maria , Malaquias Juaci Vitorio , dos Santos Borges Tatiana Karla
Published: May 2022

Passiflora setacea (PS), a fruit from the Brazilian biodiversity rich in polyphenols. PS juice reduced insulin, IL-6 levels and HOMA IR in humans. And its phenolic metabolites increased activity of PPAR-γ in BV-2 cells.
Proanthocyanidins as the main pancreatic lipase inhibitors in chokeberry fruits
Authors: Sosnowska Dorota , Podsędek Anna , Kucharska Alicja Z.
Published: May 2022

Pancreatic lipase inhibitors are recognized as important in strategies for the management of overweight and obesity.
Discovery of alkene-conjugated luciferins for redshifted and improved bioluminescence imaging in vitro and in vivo
Authors: Zhao Pei , Wu Xiaokang , Li Jie , Dong Gaopan , Sun Yingai , Ma Zhao , Li Minyong , Du Lupei
Published: May 2022

The firefly luciferase system is the most extensively utilized bioluminescence system in the field of life science at the moment.
Reverse atom transfer radical polymerization of dimethyl itaconate initiated by a new azo initiator: AIBME
Authors: Zhang Xin , Ji HaiJun , Yang Hui , Yu Jie , Wang Jiaqi , Zhang Liqun , Zhou Xinxin , Wang Runguo
Published: May 2022

Low-dispersity poly(dimethyl itaconate) (PDMI) was synthesized by RATRP with a new azo initiator: AIBME.
Analysis of n-hexane, 1-hexene, cyclohexane and cyclohexene catalytic cracking over HZSM-5 zeolites: effects of molecular structure
Authors: Ma Zhenzhou , Hou Xu , Chen Bochong , Zhao Liu , Yuan Enxian , Cui Tingting
Published: May 2022

Molecular structure significantly affects n-hexane, 1-hexene, cyclohexane and cyclohexene catalytic cracking over HZSM-5 zeolites.
The quantum dot vs. organic dye conundrum for ratiometric FRET-based biosensors: which one would you chose?
Authors: Grazon Chloé , Chern Margaret , Lally Patrick , Baer R. C. , Fan Andy , Lecommandoux Sébastien , Klapperich Catherine , Dennis Allison M. , Galagan James E. , Grinstaff Mark W.
Published: May 2022

We report a combined experimental and computational study to systematically compare the nature of the dye, i.e., organic fluorophore vs. inorganic nanoparticle, and the position of the FRET donor or acceptor on the biosensor performances.
Shape dependent photocatalytic H2 evolution of a zinc porphyrin
Authors: Orfanos Emmanouil , Ladomenou Kalliopi , Angaridis Panagiotis , Coutsolelos Athanassios G.
Published: May 2022

We synthesized a simple zinc(ii) tetraphenyl porphyrin, ZnTPP and studied the three different self-assembled architectures obtained with the use of a “bad”/“good” solvent protocol.
Fluorinated 2,6-bis(arylimino)pyridyl iron complexes targeting bimodal dispersive polyethylenes: probing chain termination pathways via a combined experimental and DFT study
Authors: Zhang Qiuyue , Zuo Zheng , Ma Yanping , Liang Tongling , Yang Xinzheng , Sun Wen-Hua
Published: May 2022

Ortho-Fluorinated iron catalysts showed high activity in ethylene polymerization delivering two types of PEs with different end-groups. DFT studies on polymerization mechanism have explain the above-mentioned observations.
Modeling risk dynamics of contaminants of emerging concern in a temperate-region wastewater effluent-dominated stream
Authors: Zhi Hui , Webb Danielle T. , Schnoor Jerald L. , Kolpin Dana W. , Klaper Rebecca D. , Iwanowicz Luke R. , LeFevre Gregory H.
Published: May 2022

Stochastic risk and attenuation modeling approaches predict problematic ecological risks of effluent-derived pharmaceuticals and other contaminants of emerging concern in an effluent-dominated stream under all-flow conditions.
A novel core@double-shell three-layer structure with dendritic fibrous morphology based on Fe3O4@TEA@Ni–organic framework: a highly efficient magnetic catalyst in the microwave-assisted Sonogashira coupling reaction
Authors: Tahmasbi Marzieh , Koukabi Nadiya , Seidi Farzad
Published: May 2022

Fabrication of Fe3O4@TEA@Ni-MOF catalyst with core@double shell three-layer structure and use it in the solventless microwave-assisted Sonogashira coupling reaction.
Boosting photocatalytic CO2 reduction via Schottky junction with ZnCr layered double hydroxide nanoflakes aggregated on 2D Ti3C2Tx cocatalyst
Authors: Zhou Boye , Yang Yong , Liu Zhengchu , Wu Niandu , Yan Yuxiang , Wenhua Zhao , He Huichao , Du Jun , Zhang Yongcai , Zhou Yong , Zou Zhigang
Published: May 2022

The ZnCr-LDH/Ti3C2Tx hybrid obtained using an in situ coprecipitation method was forming a Schottky junction to promote the yield of photoreduction CO2 to CO and CH4 gas.
Synthetic studies on the indane SHIP1 agonist AQX-1125
Authors: Dungan Otto M. , Dormann Shawn , Fernandes Sandra , Duffy Brian C. , Effiong Daniel G. , Kerr William G. , Chisholm John D.
Published: May 2022

A new synthesis of the indane based SHIP1 agonist AQX-1125 was developed. Testing of AQX-1125 and some analogs provides information on the pharmacophore and bioactivity.
peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines
Authors: Mikshiev Vladimir Y. , Tolstoy Peter M. , Puzyk Aleksandra M. , Kirichenko Sergey O. , Antonov Alexander S.
Published: May 2022

The cascade of peri-interactions facilitating the hydride shift in 1,8-bis(dimethylamino)naphthalene ortho-ketimines expands the potential of the heterocyclization methods triggered by the hydride transfer.
Alkynyl-induced construction of stereodefined polysubstituted conjugated enynes via Pd-catalyzed allylic arylations
Authors: Liu Teng , Liu Yin , Guo Wusheng
Published: May 2022

The alkynyl-induced construction of polysubstituted conjugated enynes with exclusive (Z)-configurations via Pd-catalyzed allylic arylations is described.
Role of processing parameters in CVD grown crystalline monolayer MoSe2
Authors: Papanai Girija Shankar , Sahoo Krishna Rani , Reshma G Betsy , Gupta Sarika , Gupta Bipin Kumar
Published: May 2022

Monolayer MoSe2 flakes with varying shapes, including sharp triangle, truncated triangle, hexagon, and rough edge circle are synthesized using APCVD method. The lattice and quasiparticle dynamics are examined under different growth conditions.
Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
Authors: Khalid Muhammad , Arshad Muhammad Nadeem , Murtaza Shahzad , Shafiq Iqra , Haroon Muhammad , Asiri Abdullah M. , Figueirêdo de AlcântaraMorais Sara , Braga Ataualpa A. C.
Published: May 2022

Non-fullerene (NF)-based compounds have attracted much attention as compared to fullerene-based materials because of their promising optoelectronic properties, lower synthetic cost and greater stability.
Magnetic coupling induced by the interaction between endohedral metal borofullerenes
Authors: Wang Jia , Liu Xuhui , Zhang Wanyi , Wang Chunxu , Qin Zhengkun
Published: May 2022

The studied eight U@B40superatom dimers show that they exhibit spin antiferromagnetic coupling, spin ferromagnetic coupling and nonmagnetic, that is, the magnetic coupling is induced by the interaction between the U@B40superatoms.
HPLC-DAD phenolic screening andin vitroassessment of antimicrobial, antioxidant and anti-inflammatory activities of Tanteboucht dates
Authors: Dassamiour Saliha , Meguellati Selsabil , Lamraoui Hdouda , Bensaad Mohamed Sabri , Sami Rokayya , Alshehry Garsa , Althubaiti Eman Hillal , Al-Meshal Areej Suliman
Published: May 2022

The date palm (Phoenix dactyliferaL.) is one of the most important crops in arid and semi-arid zones.
New insights into the radial structural differences of polyacrylonitrile fibres during thermal stabilization by the synchronous processing adjustment of time and temperature
Authors: Chen Liang , Chen Jing , Shen Zhigang , Liu Jie , Wang Xiaoxu
Published: May 2022

PAN chains in skin regions of the stabilized fibres are highly different from those in the core regions. Although stabilized PAN fibres may have equal densities, the performances of the resultant carbon fibres may be disparate.
Catalytic approaches towards highly durable proton exchange membrane fuel cells with minimized Pt use
Authors: Kim Hee-Eun , Kwon Jaehoon , Lee Hyunjoo
Published: May 2022

Catalytic approaches to enhance PEMFC performances are introduced, especially focusing on the studies reporting MEA cell data.
Arsolyl-supported intermetallic dative bonding
Authors: Kirk Ryan M. , Hill Anthony F.
Published: May 2022

Cobalt carbonyl reacts with arsoles to provide the first late transition metal η5-arsolyls. These serve as ditopic donors to extraneous metal centres (M = PtII, AuI, HgII) through both conventional AsM and polar-covalent (dative) CoM interactions.
Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols
Authors: Sandvoß Alexander , Maag Henning , Daniliuc Constantin G. , Schollmeyer Dieter , Wahl Johannes M.
Published: May 2022

Desymmetrization of prochiral oxetanols via an electron-deficient hemiketal intermediate is achieved. Key to this process is the catalyst's chiral recognition of one of the two hemiketal enantiomers enabling an efficient dynamic kinetic resolution.
Cagearenes: synthesis, characterization, and application for programmed vapour release
Authors: Fang Shuai , Wang Mengbin , Wu Yating , Guo Qing-Hui , Li Errui , Li Hao , Huang Feihe
Published: May 2022

Two organic cages, cagearene-1 and cagearene-2, are prepared. The cagearene-1 solid selectively absorbs benzene vapor from a benzene/cyclohexane mixture and is used to achieve temperature-controlled programmed vapor release.
π-Extension of heterocycles via a Pd-catalyzed heterocyclic aryne annulation: π-extended donors for TADF emitters
Authors: Spence Katie A. , Chari Jason V. , Di Niro Mattia , Susick Robert B. , Ukwitegetse Narcisse , Djurovich Peter I. , Thompson Mark E. , Garg Neil K.
Published: May 2022

A method for accessing π-extended heterocycles through a palladium-catalyzed annulation of strained indolyne and carbazolyne intermediates is disclosed. We demonstrate the use of these products as donor ligands in TADF emitters.