bluuebunny/crossref_metadata_2025 huggingface dataset:
HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative
Authors: Fang Xiaomin , Wang Fan , Liu Lihang , He Jingzhou , Lin Dayong , Xiang Yingfei , Zhang Xiaonan , Wu Hua , Li Hui , Song Le
Published: September 2022

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from the homologous sequences. Nonetheless, searching MSAs from protein databases is time-consuming, usually taking dozens of minutes. Consequently, we attempt to explore the limits of fast protein structure prediction by using only primary sequences of proteins. HelixFold-Single is proposed to combine a large-scale protein language model with the superior geometric learning capability of AlphaFold2. Our proposed method, HelixFold-Single, first pre-trains a large-scale protein language model (PLM) with thousands of millions of primary sequences utilizing the self-supervised learning paradigm, which will be used as an alternative to MSAs for learning the co-evolution information. Then, by combining the pre-trained PLM and the essential components of AlphaFold2, we obtain an end-to-end differentiable model to predict the 3D coordinates of atoms from only the primary sequence. HelixFold-Single is validated in datasets CASP14 and CAMEO, achieving competitive accuracy with the MSA-based methods on the targets with large homologous families. Furthermore, HelixFold-Single consumes much less time than the mainstream pipelines for protein structure prediction, demonstrating its potential in tasks requiring many predictions. The code of HelixFold-Single is available at https://github.com/PaddlePaddle/PaddleHelix/tree/dev/apps/protein_folding/helixfold-single, and we also provide stable web services on https://paddlehelix.baidu.com/app/drug/protein-single/forecast.
“I did not need anything else to make me feel bad”: The precarious paradox of Breast Cancer Survivors’ adherence to adjuvant endocrine therapy
Authors: Sheppard Vanessa , Namoos Asmaa , Bonny Morris , Arnethea Sutton , Megan Edmonds , Bastaich Dustin , Cummings Yvonne , Wells Matthew , De Mendoza Alejandra
Published: September 2022

Purpose
Adherence to adjuvant endocrine therapy (AET) is a critical problem in the treatment of hormone receptor-positive (HR+) breast cancer (BC). More than half of women discontinue AET prior to the end of the recommended 5-year course of therapy. The purpose of this study was to assess the feasibility of engaging women in research who prematurely discontinued AET and to describe their experiences with AET to inform future interventions.
Methods
A mixed-methods pilot study was nested within a larger observational trial of women with HR + BC (N = 594). Women who discontinued therapy were systematically identified over 24 months; quantitative surveys and in-depth interviews were conducted. Paired t-tests were used to compare the mean difference in psychosocial factors and medication-related symptoms between baseline and discontinuation time-points. In-depth open-ended interviews were audio-recorded, transcribed verbatim, and analyzed using the NVivo software program.
Results
Most women (90%) who discontinued AET during the observational period participated in the study (N = 37). Women’s ages ranged from 46 to 78 years old (m = 60.1); 62.2% were White, 29.7% were Black and the remaining women identified as being from other racial/ethnic groups. Few differences were noted between women who did and did not discontinue AET. Most women (84%) reported AET-side effects as a reason for discontinuation. Among those who discontinued, the reported vasomotor symptoms were lower at discontinuation compared to the first symptom assessment (P = 0.0047). Qualitative data suggested frustration with strategies to address symptoms, being unprepared for the intensity of symptoms, and a desire for better patient-provider communication. 69.2% of women reported that would be willing to consider restarting AET if barriers were removed.
Conclusion
Most women were willing to restart AET. Capturing women’s experiences while on treatment and their discontinuation in real-time may help women prevent discontinuation, enhance the quality of life and prevent worsening of medication-related symptoms. Interventions that integrate patients’ concerns with symptom management and enhance patient-physician communication may support AET adherence.
SENP2 restrains the generation of pathogenic Th17 cells in inflammatory bowel disease
Authors: Yang Tsan-Tzu , Chiang Ming-Feng , Chang Che-Chang , Yang Shii-Yi , Shih Hsiu-Ming , Hsu Wei , Lin Kuo-I
Published: September 2022

The molecular mechanisms contributing to the regulation of Th17-mediated inflammation remain underexplored. We here report a SUMO-specific protease (SENP)2-mediated pathway induced in pathogenic Th17 cells that restricts the pathogenesis of inflammatory colitis. SENP2 regulates the maturation of small ubiquitin-like modifiers (SUMO) and recycles SUMO from the substrate proteins. We found higher levels of SENP2 in pathogenic Th17 cells. By deleting Senp2 during T-cell development or in mature Th17 cells in mice, we demonstrated that the lack of Senp2 exacerbates the severity of experimental colitis, which is linked to elevated levels of GM-CSF+IL-17A+ pathogenic Th17 cells and more severe dysbiosis of the intestinal microbiome. Adoptive transfer experiments demonstrated the cell-autonomous effect of Senp2 in restraining Th17 differentiation and colitis. The enzymatic activity of SENP2 is important for deSUMOylation of Smad4, which prevents Smad4 nuclear entry and Rorc expression. Our findings reveal a SENP2-mediated regulatory axis in the pathogenicity of Th17 cells.
Sperm in the implantation-stage blastocyst: Is it a check point of embryo quality?
Authors: Huppertz Berthold , Sengupta Jayasree , Kroneis Thomas , Boddy Amy , Roy Rahul , Sarkar Anish , Sarkar Deepayan , Ghosh Debabrata
Published: September 2022

The early human embryo derived from fusion of an oocyte with a single sperm undergoes growth and differentiation and results in an implantation-ready blastocyst. To initiate implantation, the blastocyst hatches from the zona pellucida, thus making it accessible to external inputs. Our modelling of sperm distribution through the uterus indicates that 200–5000 sperms following natural coitus during mid-luteal phase are in a position of reaching the implantation-stage blastocyst in the maternal uterus. We indeed have ultrastructural evidence of sperm cells intruding into the trophectoderm cells of uterine zona-free blastocysts obtained from rhesus monkeys. The question arises whether the negotiation between additional sperm and azonal blastocyst is a feature of evolution yielding adaptation processes influencing the developmental fate of an individual embryo or a neutral by-product in placental mammals. This process potentially bears implications in pregnancy success, sperm competition, and human health.
PERK/NF-κb pathway mediates TMAO aggravating the activation of NLRP3 inflammasome in ox-LDL -induced THP-1cells
Authors: Zhao Haiyan , Yu Xiaochen , Luo Zhisheng , Wang Mingxue , Wang Wenxiao , Guan Xiuru
Published: September 2022

Background: By associated with inflammation intraplaque, Trimethylamine N-oxide (TMAO) increase the risk of atherosclerotic plaque rupture and has been identified as the independent predictor of cardiovascular events. However, the underlying mechanism is yet unclarity. Accumulating studies have established the critical role of NOD-like receptor thermal protein domain associated protein 3 (NLRP3) inflammasome in mediating intraplaque inflammation and plaque progression. Here, we discussed the role of NLRP3 inflammasome in aggravating ox-LDL-induced macrophage inflammation response to TMAO and its potential mechanism.
Results: Our results showed that TMAO enhanced ox-LDL-induced inflammation in THP-1cells. Adding to TMAO remarkably upregulated the expression or mRNA level of NLRP3, Cysteinyl aspartate specific proteinase 1(caspase-1) p20 and Apoptosis associated speck-like protein containing CARD(ASC) and enhanced the activity of caspase-1. An NLRP3 inhibitor (MCC950) reversed the promoting effect of NLRP3 inflammasome activation by TMAO and subsequently macrophage inflammation. Significantly, TMAO also boosted the activation of endoplasmic reticulum stress (ERS) and nuclear factor-kappa B (NF-kB) pathway in ox-LDL-induced cells, manifested as the increasing expression of p-NF-κB, Bip and phosphorylated protein kinase R-like ER kinase (p-PERK). Activation of the NLRP3 inflammasome by TMAO was reversed by the ERS inhibitor 4-PBA or the NF-κB phosphorylation inhibitor JSH-23. Meanwhile, 4-PBA further inhibited the NF-κB phosphorylation and alleviated the NLRP3 inflammasome activation.
Conclusions: We concluded that TMAO exacerbates ox-LDL-induced NLRP3 inflammasomes activation and subsequently interleukin (IL)-18 and IL-1b release in THP-1 macrophages, which partly regulated by the activating of the PERK/NF-κB signaling pathway.
DQ-axis Modelling and Field Oriented Control of Hybrid Flux Motor
Authors: Boomiraja Balaganesh , Kanagaraj Ragavan
Published: September 2022

This paper presents a prototype of three phase hybrid flux motor (HFM) with a power rating of 1.2 kW that validates the concept of hybrid flux topology (combining longitudinal and transverse flux topologies). Conventional dq-axis model of three phase electric motor is based on rotating magnetic fields, which cannot be applied to the HFM due to its pulsating magnetic field. In this work, a dq-axis model is derived for HFM that can be applied to any pulsating magnetic field motors. With the developed dq-axis model, a field oriented control (FOC) is simulated for the HFM. This simulation details the design, tuning, and stability of PI controller using step response, root locus, and Bode plot. A step-by-step process of experimental implementation of FOC is elaborately discussed in this article, which will be of interest to engineers working on motor control. Based on the FOC developed, a load test is performed on the HFM and compared to the finite element analysis results. Laser cutting is used in the fabrication of the HFM prototype to make stator and rotor core laminations. This paper explores the effect of laser cutting on the performance of HFM prototype.
Do the species with large geographic ranges diversify faster?
Authors: Smycka Jan , Toszogyova Anna , Storch David
Published: September 2022

Range size is a universal characteristic of every biological species, and is often assumed to determine diversification rate. However, the relationship between range size and past and future diversification of species remains elusive. On one hand, there are strong theoretical arguments that large-ranged species should have higher rates of diversification. On the other hand, the observation that small-ranged species are often phylogenetically clustered and form spatially localized diversity hotspots indicates high diversification of small-ranged species. We use a cladogenetic state-dependent diversification model applied to mammals to show that in general, small-ranged species indeed diversify slower, as theoretically expected. However, this pattern is reversed in many mammalian taxa. The ancestral state reconstructions suggest that both range size evolution and diversification are strongly influenced by idiosyncratic and spatially localized events, such as colonization of an archipelago or a mountain system, which often overdrive the general pattern of range size evolution.
Order-disorder Peierls instability in the kagome metal (Cs,Rb)V3Sb5
Authors: Subires David , Korshunov Artem , Said Ayman , Sanchez Lorea , Ortiz Brenden , Wilson Stephen , Bosak Alexei , Blanco-Canosa Santiago
Published: September 2022

The nature of the charge density wave phases in the kagome metal compound AV3Sb5 has raised many questions and their origin is still under debate. Here, we combine diffuse scattering (DS) and inelastic x-ray scattering (IXS) to identify a 3-dimensional (3D) precursor of the charge order with propagation vector (0.5 0 0.5), which condenses into a 3D-CDW through a first order phase transition. The quasi-elastic critical scattering indicates that the dominant contribution to the diffuse precursor is the elastic central peak without phonon softening. However, the inelastic spectra show a small broadening of the Einstein-type phonon mode on approaching the phase transition. Our results point to the situation where the Fermi surface instability at the L point is of order-disorder type with a critical growth of quasi-static domains. The results go beyond the classical weak-coupling Peierls transition dynamics and are discussed within models including strong-electron phonon coupling and non-adiabaticity.
Efficient Purification and Characterization of Phycoerythrin from Caspian Sea Red Macroalgae (Osmundea caspica)
Authors: Eshaghzadeh Hamid , Shahbazi Maryam , Akhavan Sobhan Rana , Pereira Leonel
Published: September 2022

Phycoerythrin (red pigment) (PE) is a naturally occurring colorant with excellent fluorescent and antioxidant properties that has a wide range of applications. More studies are needed, however, to improve the purification yield and chemical properties of PE. This study aimed to compare the use of different purification methods, which are activated charcoal (AC), ammonium sulfate precipitation (ASP), or anion-exchange chromatography (IE) alone and a combination of AC, ASP, and IE, for PE extraction from the Caspian Sea red macroalgae (Osmundea caspica). Response surface methodology (RSM) was employed for preliminary purification, with the independent variables being activated charcoal content (0.1–1% w/v) and stirring time (2–10 min). With an AC content of 0.4% and a stirring time of 2 min, PE purity and concentration were optimized. The predicted values from the equations agreed well with the experimental values, demonstrating the model's robustness. A three-step increase in the ionic strength of IE was also evaluated at three different treatments (PECE, PECE + AC + IE, and ASP + IE). The highest PE purity and lowest Fluorescence intensity (FI) and Antioxidant activity (AA) were obtained in the fraction of AE-200 (second fraction) with an index of 2.8 and a recovery yield of 48% in ASP + IE, whereas an index purity of 2 and the highest recovery yield of 67% were obtained using PECE + AC + IE.
Unsafe premarital sexual practice and associated factors among youth in Gambella, Western Ethiopia: With a mixed method
Authors: Demilew Demeke , Demilew Ashebir , Salelew Endalamaw , Lemma Alemu , Tesfaye Bizuneh , Yigzaw Niguse , Asrat Biksegn , zemene wondwossen , Mirkena Yohannes , Kerbih Habtamu
Published: September 2022

Background
According to USAIDs in 2016 report globally, there are an estimated 36.7 million people living with HIV and 1.8 million became newly infected with the virus while 1 million lost their lives because of HIV. Unsafe premarital sexual practice is the major factors that contribute the transmission of HIV/AIDS throughout the world. Therefore, the aim of this study was to assess the prevalence of unsafe premarital sexual practice and associated factors among youth.
Methods
Community based cross-sectional study was conducted from April to June 2018 G.C at Gambella Peoples’ National Regional State. A sample of 151 youth of age between 15–24 from three kebeles, 9 elders and 8 officers were taken for the study using simple random sampling and purposive sampling technique. It was analyzed by using simple statistical techniques and chi-square and logistic regression.
Results
The results of this study indicated that 100% of the respondents were found with unsafe premarital sexual practice. They started practicing sex with the minimum age 10 and maximum age of 19. Having multiple sexual partners and the elders’ encouragement of the tradition had shown high positive relationship and has effected on the prevalence rate of STDs.
Conclusion
Prevalence of unsafe premarital sexual practice was relatively high and it has positive association with transmission of HIV. Therefore, it is better to be designed appropriate interventions and working together with deferent stakeholders for the implementation of the intervention and as well as to reduce the transmission rate.
Novel nomogram developed for determining suitability of metastatic castration resistant prostate cancer patients to receive maximum benefit from radium-223 dichloride treatment – Japanese Ra-223 Therapy in Prostate Cancer using Bone Scan Index (J-RAP-BSI) Trial
Authors: Kitajima Kazuhiro , Igeta Masataka , Kuyama Junpei , Kawahara Takashi , Suga Tsuyoshi , Otani Tomoaki , Sugawara Shigeyasu , Kono Yumiko , Tamaki Yukihisa , Seko-Nitta Ayumi , Ishiwata Yoshinobu , Ito Kimiteru , Toriihara Akira , Watanabe Shiro , Hosono Makoto , Miyake Hideaki , Yamamoto Shingo , Narita Mitsuhiro , Daimon Takashi , Yamakado Koichiro
Published: September 2022

Purpose: To develop a novel nomogram for determining radium-223 dichloride (Ra-223) treatment suitability for metastatic castration resistant prostate cancer (mCRPC) patients.
Methods: This Japanese Ra-223 Therapy in Prostate Cancer using Bone Scan Index (J-RAP-BSI) Trial was a retrospective multicenter investigation enrolled 258 mCRPC patients in Japan with Ra-223 treatment at 14 hospitals between June 2016 and August 2020, with bone scintigraphy findings before treatment, clinical data, and survival outcome available. A nomogram was constructed using prognostic factors for overall survival (OS) based on a least absolute shrinkage and selection operator Cox regression model.
Results: Within median 17.4 months after initial Ra-223 treatment, 124 patients (48.1%) died from prostate cancer. Predictive factors included (1) sum of prior treatment history (score 0, never prior new hormone therapy, never prior chemotherapy, and ever prior bisphosphonate/denosumab treatment), (2) Eastern Cooperative Oncology Group (ECOG) performance status, (3) prostate-specific antigen doubling time (PSADT), (4) hemoglobin, (5) lactate dehydrogenase (LDH), and (6) alkaline phosphatase (ALP) levels, and (7) automated bone scan index (aBSI) value based on bone scintigraphy. The nomogram using those factors showed good discrimination, with apparent and optimism-corrected Harrell's concordance index values of 0.748 and 0.734, respectively. Time-dependent area under the curve values at one, two, and three years were 0.771, 0.818, and 0.771, respectively. A two-year survival calibration plot indicated consistent predicted and observed values without large discrepancy.
Conclusion: This novel nomogram including aBSI to select mCRPC patients to receive Ra-223 with significantly prolonged OS possibility was found suitable for assisting therapeutic decision making.
Trehalose-6-phosphate: Biosynthesis, plant metabolism, and crop yields
Authors: Abdi Gholamreza , Wahab Abdul , Khurram M. Faizan , Riaz Rimsha , Akram Muhammad Salman , Wani Ab Waheed , Kazmi Abeer , Rasool Aamir , Muhammad Murad , Rahimi Mehdi
Published: September 2022

Trehalose is a stress-response disaccharide commonly found in yeasts, bacteria, plants, and invertebrates. In plants, its purpose is uncertain, but some studies suggest it protects against abiotic stressors like chilling, heat, drought, and salinity. It is an osmoprotectant and a stabilizing agent for higher animals and plants. Some trehalose metabolism mutants show growth abnormalities, which could compromise plant physiology. Biotic stress causes contradictory results as well. It is also crucial for pathogen infectivity and plant defensive response. In our opinion, trehalose should not be considered only as a defensive sugar but rather as a molecule with two identities. It is an exceptional molecule that maintains the plant's vigor despite severe environmental conditions. Arabidopsis plants have been used to treat Alzheimer's, Parkinson’s, and Huntington’s diseases. There's no doubt that what we have just learned about this disaccharide will take us down many roads we've never been down before.
A fatal case of monkeypox virus infection from Kerala India 2022
Authors: Yadav Pragya D. , Vasu Meenakshy , Abubaker Fazil , Sahay Rima R. , Reghukumar Aravind , Krishnan Anukumar Bala , Prabha Kavya , Papu Asha Konipparambil , Gopalakrishnan Lakshmi Geetha , Mundangalam Nizamuddin , Siddiq Aboobaker , Patil Deepak Y. , Shete Anita M. , Abraham Priya , Prasad Anoop Rajendra , TK Anoop , Karunakaran Kavya
Published: September 2022

Monkeypox deaths have been rarely reported across the globe. A total of 19 fatalities have been reported globally from endemic and non-endemic countries in 2022. The current outbreak of Monkeypox had been largely limited to the community of men who have sex with men primarily with multiple bisexual or homosexual partners. The vast majority of the cases infected with Monkeypox had recovered and the complications like sepsis and encephalitis had been reported in the immunocompromised individuals. The mortality in Brazil and Mexico were primarily in the immunocompromised individuals, while in Spain the fatal cases were immunocompetent with no underlying conditions. To date, India had recorded 12 cases of Monkeypox infection from Kerala (n=5) and New Delhi (n=7). Here, we report the first fatal case of Monkeypox virus (MPXV) infection imported from UAE to Kerala, India in July 2022. A 22-year-old apparently immunocompetent male with no significant past medical history was admitted in an unconscious state to a private hospital in Kerala following a single episode of acute onset generalized tonic-clonic seizures. The clinical features, MRI findings, CSF picture, and EEG findings of this case suggest encephalitis. Only the case's oropharyngeal/nasopharyngeal swabs (OPS/NPS) were found to be positive for MPXV. The next generation sequencing on OPS/NPS specimen could retrieve 92.76% of the MPXV genome and belonged to A.2 lineage of clade IIb as observed in the other confirmed Monkeypox cases from India.
Meta-analysis of Macrolide Resistance Pattern of Mycoplasma pneumoniae in the World
Authors: Rabiei Mohammad Mahdi , Shojaee Sajad , Gharehbagh Farid Javandoust , Hatami Firouze , Nazhand Hadi Allahverdi , Ebadi Hadi , Zeininasab Amir Hossein , Shahrokhi Shahrzad , Kazeminia Neda , Lotfollahi Legha , Darazam Ilad Alavi
Published: September 2022

Background: There are increasing reports regarding macrolide resistance inMycoplasma pneumoniae, particularly in Asia. Indiscriminate consumption of macrolide could be an alarming sign worldwide. We aimed to systematically review and analyze the prevalence and pattern of resistance inMycoplasma pneumoniaeaccording to the recent studies.Methods: We searched authentic scientific sources and databases, and reference lists of relevant articles from January 1, 2017, to April 1, 2022. Meta-analyses were accomplished on the extracted and evaluated epidemiological data for proportion outcome variables, which included factors associated with Macrolide resistance, A2063G and A2064G.Results: Most of the included studies were conducted in Asia (a total number of 10353 patients). Twenty-nine qualified studies were included in order to evaluation of macrolide resistance. The overall pooled prevalence was 52% (38%-65%), I2=100%; p<0.001. While subgroups analyses revealed that the pooled prevalence for America (3 studies), Asia (23 studies), and Europe (3 studies) was 8% (6%-10%), 63% (52%-75%), and 4% (2%-7%), respectively. Seventeen eligible studies for determining of A2063G and 14 for A2064G were analyzed. Global pooled prevalence was 75% (68%-83%), I2=100%; p<0.001, and 4 %( 2%-5%), I2=89%; p<0.001 for A2063G and A2064G, respectively. Pooled prevalence of A2063G for America, Asia and Europe was 10% (4%-15%), 91% (88%-93%) and 5% (2%-9%), respectively.Conclusion: While the prevalence of macrolide-resistant MP is quite low in America, it is a great dilemma in East Asia and the low prevalence in most countries could be underestimated. This study revealed an increasing trend in macrolide resistance. Indiscriminate and improper use of macrolides may be a warning in this regard.
Earliest evidence for hunter-gatherer impacts on raven diet and ecology in the Gravettian of Southern Moravia
Authors: Baumann Chris , Hussain Shumon , Roblíčková Martina , Riede Felix , Mannino Marcello , Bocherens Hervé
Published: September 2022

The Early Gravettian of Southern Moravia – the Pavlovian – is notable for its corvid-rich faunal assemblages dominated by common ravens (Corvus corax). Based on the available zooarchaeological and settlement data from the Pavlovian, it has been hypothesized that ravens were attracted by human domestic activities and subsequently captured by Pavlovian people for food and feathers. Here, we report independent δ15N, δ13C and δ34S isotope data obtained from twelve adult common ravens from the Pavlovian key sites of Předmostí I, Pavlov I and Dolní Věstonice I. We show that these ravens had diets surprisingly rich in mammoth, thus strongly aligning in feeding preferences with contemporary early Homo sapiens foragers. We isolate two groups of ravens with distinct dietary profiles and argue that these opportunistic-generalist feeders were both attracted from adjacent regions and encouraged locally through human activity. These data provide the earliest direct evidence for incipient synanthropism among Upper Palaeolithic ravens. We suggest that subtle anthropogenic ecosystem engineering, including carrion supply dynamics, furnishes unique contexts for the emergence of synanthropism, affirming deep-historical roots in Late Pleistocene hunter-gatherer contexts. The coalescence of synanthropic niches can promote novel foraging opportunities and human-environment feedback dynamics and is thus important for understanding early human ecosystem impacts.
The genomic epidemiology of Escherichia albertii
Authors: Bengtsson Rebecca , Baker Kate , Cunningham Andrew , Greig David , John Shinto , Macgregor Shaheed , Seilern-Moy Katharina , Spiro Simon , Chong Charlotte , De Silva Malaka , Jenkins Claire , Lawson Becki
Published: September 2022

Escherichia albertii is a recently identified gastrointestinal bacterial pathogen of humans and animals which is typically misidentified and generally only detected during genomic surveillance of other Enterobacteriaceae. The incidence of E. albertii is likely underestimated and its epidemiology and clinical relevance are poorly characterised. Here, we whole genome sequenced E. albertii isolates from humans (n = 83) and birds (n = 79) in Great Britain and analysed a broader public dataset (n = 475) to address these gaps. We found human and avian isolates typically (90%; 148/164) belonged to host-associated monophyletic groups with distinct virulence and antimicrobial resistance profiles. Overlaid patient epidemiological data suggested that human infection was likely related to travel and possibly foodborne transmission. The Shiga toxin encoding stx2f gene was associated with clinical disease (OR = 10.27, 95% CI = 2.98–35.45 p = 0.0002) in finches. Our results suggest that improved future surveillance will further elucidate disease ecology and public and animal health risks associated with E. albertii.
Novel grafted hydrogel for Iron and ammonia removal from ground water, synthesis and computational chemistry study
Authors: El-Salam H. M. Abd , Shafey Ali M El , Abdel-Latif Mahmoud K.
Published: September 2022

Researches are moving to iron and ammonia elimination from ground water. Here, we are using poly acrylic–poly acrylamide hydrogel which grafted with 3-chloroaniline. This copolymer was synthesized by addition polymerization. Effect of agitation time, dosage and adsorbents temperature on the removal process sensitivity has been investigated. The copolymer was described experientially and theoretically. Isothermal, kinetic adsorption models and were discussed. This hydrogel could be regenerated efficiently (98.3%removal of iron and 100% removal of ammonia). Density functional theory DFT method using B3LYP/6-311G(d,p),LANL2DZ level of the theory were managed to investigate stationary states of grafted co-polymer and the complexation energy of the hydrogel with the studied cations. NBO analysis is using DFT to investigate the negative centers on the hydrogel. The complexation energy showed selectively of hydrogel to studied cations.
Management and outcomes after Trans-Epithelium Photorefractive Keratectomy and Laser-Assisted Sub-Epithelium Keratectomy in the COVID-19 Epidemic
Authors: Tian Mingxia
Published: September 2022

Purpose: To investigate surface ablation outcomes in the COVID-19 period.
Methods: In total, 110 eyes that underwent trans-epithelium photorefractive keratectomy (TransPRK) and 93 eyes that underwent laser-assisted sub-epithelium keratectomy (LASEK) were included. Although many patients were unable to attend a follow-up for a period because of COVID-19 restrictions, doctors and patients had done lots of work to make up for it. Postoperative 6 months vision, refraction, tonometry, corneal epithelium recovery, and corneal haze were determined.
Results: All included patients gained their expected vision. The postoperative LogMAR vision at 6 months was –0.097 ± 0.022, and spherical equivalent (SE) was 0.15 ± 0.26 D. The corneal epithelium recovered at postoperative 5.38 ± 1.15 days, and vision recovered at 9.48 ± 4.12 days. Ocular hypertension was found in 18.27% of patients on postoperative day 52.95 ± 31.60, and corneal haze was found in 7.69% of patients on postoperative day 57.38 ± 22.62. The haze grade was 0.75 ± 0.53, and both hypertension and haze were controlled. TransPRK achieved faster epithelium recovery on postoperative day 8.51 ± 4.19 than LASEK (10.48 ± 3.84 days, P=0.03) and better postoperative SE than LASEK (0.11 ± 0.27D and 0.20 ± 0.25D, respectively, P=0.015).
Conclusions: TransPRK and LASEK are safe and effective for correcting refractive errors during the inconvenient COVID-19 epidemic. TransPRK might achieve faster recovery of vision and better refraction results. Nevertheless, regular visits are necessary to avoid complications such as corneal haze and corticosteroid ocular hypertension.
Postoperative fasting plasma glucose and family history diabetes mellitus can predict post-transplantation diabetes mellitus in kidney transplant recipients
Authors: Wang Le , Huang Jin , Li Yajuan , Shi Kewei , Gao Sai , Zhao Wangcheng , Zhang Shanshan , Ding Chenguang , Gao Wei
Published: September 2022

Purpose
To explore whether glycated albumin (GA) or fasting plasma glucose (FPG), both routinely monitored during patients’ hospital stay, can be used to predict post-transplantation diabetes mellitus (PTDM).
Methods
All kidney transplantation recipients (KTRs) from January 2017 to December 2018 were followed-up for 1 year. PTDM was diagnosed from day 45 post-operation to 1 year. When the completeness was above 80%, FPG or GA data on the day was selected, analyzed, and presented as range parameters and standard deviation (SD) and compared between PTDM and non-PTDM groups in fluctuation and stable periods. The predictive cut-off values were determined via receiver operating characteristic (ROC) analysis. The PTDM combined predictive mode, formed by the independent risk factors derived from logistic regression analyses, was compared with each independent risk factor with the independent ROC curve test.
Results
Among 536 KTRs, 38 patients developed PTDM up to 1 year post-operatively. The family history diabetes mellitus (DM; OR, 3.21; P = 0.035), the FPG SD in fluctuation period > 2.09 mmol/L (OR, 3.06; P = 0.002), and the FPG maximum in stable period > 5.08 mmol/L (OR, 6.85; P < 0.001) were the PTDM independent risk factors. The discrimination of the combined mode (area under the curve = 0.81, sensitivity = 73.68%, and specificity = 76.31%) was higher than each prediction (P < 0.05).
Conclusions
The FPG SD during the fluctuation period, FPG maximum during the stable period, and family history DM predicted PTDM with good discrimination and potential routine clinical use.
Impact of race-independent equations on estimating glomerular filtration rate for the assessment of kidney dysfunction in liver disease
Authors: Stämmler Frank , Derain-Dubourg Laurence , Lemoine Sandrine , Meeusen Jeffrey W. , Dasari Surendra , Lieske John C. , Robertson Andrew , Schiffer Eric
Published: September 2022

Background: Altered hemodynamics in liver disease often results in overestimation of glomerular filtration rate (GFR) by creatinine-based GFR estimating (eGFR) equations. Recently, we have validated a novel eGFR equation based on serum myo-inositol, valine, and creatinine quantified by nuclear magnetic resonance spectroscopy in combination with cystatin C, age and sex (GFRNMR). We hypothesized that GFRNMRcould improve chronic kidney disease (CKD) classification in the setting of liver disease.
Results: We conducted a retrospective multicenter study in 205 patients with chronic liver disease (CLD), comparing the performance of GFRNMRto that of validated CKD-EPI eGFR equations, including eGFRcr (based on creatinine) and eGFRcr-cys (based on both creatinine and cystatin C), using measured GFR as reference standard. GFRNMR outperformed all other equations with a low overall median bias (-1 vs. -6 to 4 ml/min/1.73 m2 for the other equations; p < 0.05) and the lowest difference in bias between reduced and preserved liver function (-3 vs. -16 to -8 ml/min/1.73 m2for other equations). Concordant classification by CKD stage was highest for GFRNMR (59% vs. 48% to 53%) and less biased in estimating CKD severity compared to the other equations. GFRNMR P30 accuracy (83%) was higher than that of eGFRcr (75%; p = 0.019) and comparable to that of eGFRcr-cys (86%; p = 0.578).
Conclusions: Addition of myo-inositol and valine to creatinine and cystatin C in GFRNMR further improved GFR estimation in CLD patients and accurately stratified liver disease patients into CKD stages.
Impacts of the Indian Summer Monsoon on the southern boundary water vapor transport and precipitation over the Tibetan Plateau
Authors: Liu Tianyu , Chen Jinghua , Yang Kai , Deng Liping
Published: September 2022

Water vapor transport plays a significant role in maintaining the water cycle over the Tibetan Plateau (TP). This study investigates the characteristics of water vapor transport across TP southern boundaries and its impacts on TP precipitation during the Indian summer monsoon (ISM) season from 2000 to 2019. The southern boundary is subdivided into four sub-boundaries (boundaries 7, 8, 9, and 10) from the east to the west. Water vapor transports of boundaries 7, 8, and 9 are mainly affected by ISM, while mid-latitude westerlies dominate the water vapor transport of boundary 10. The results show that the PCR precipitation concentrated over the center TP in both ISM strong and weak months is smaller in the ISM weak months than the normal months for most of the day, while it is larger in the ISM strong months than the normal months. The PCR precipitation correlates positively with the water vapor transport across boundary 10 in both the ISM strong and weak months. Although there is water vapor transport across boundary 7 in both the ISM weak and strong months, the water vapor can hardly be brought to PCR. The correlation between the PCR precipitation and the water vapor from the BOB and the Arabian Sea is more intense in ISM strong months than in ISM weak months. Conversely, the water vapor transport efficiency is low in ISM strong months due to a cyclonic circulation over northern India, preventing water vapor transport from reaching the TP directly.
Nonlinear Energy Localisation in a Model of Plane Metamaterial
Authors: Coclite Giuseppe Maria , DE TOMMASI DOMENICO , MADDALENA FRANCESCO , ROMANO MARZIA , TRENTADUE FRANCESCO
Published: September 2022

Applying the concepts of Nonlinear Normal Modes and Limiting Phase Trajectories introduced by L. I. Manevitch in [46] to a two-dimensional mass-spring system, the authors propose a generalised method to tune a plane metamaterial and get the desirable resonant behaviour at short wavelengths. Indeed, the account of nonlinear coupling between the oscillators enables the localisation of energy leading the origin of a bandgap at short wavelengths regardless the existence of external disturbances. Moreover, further restrictions on the modes amplitude allow the observation of FermiPasta-Ulam-Tsingou recurrence and super-recurrence in the two-dimensional metamaterial. These findings can open the way to further research in order to improve efficiency and performance of resonant metamaterials.
Effect of environmental variables on mercury accumulation in sediments of an anthropogenically impacted tropical estuary (Buenaventura Bay, Colombian Pacific)
Authors: Molina Andrés , Duque Guillermo , Cogua Pilar
Published: September 2022

Estuaries are the main entry areas of mercury to the marine environment and are important to understand the effect of this contaminant on marine organisms, since it accumulates in the sediments becoming available to enter the food trophic chain. This study aims to determine the environmental variables that mainly influence the spatiotemporal dynamics of total mercury accumulation in sediments of tropical estuaries. Sediment samples were collected from interior and exterior areas of the estuary during the dry and rainy seasons, representing the spatiotemporal gradients of the estuary. The grain size, organic matter content (OM), and total mercury concentration (THg) of the sediment samples were determined. In addition, salinity, temperature, dissolved oxygen, and pH of the water column associated with each sediment sample were assessed. The variations in environmental conditions, OM and THg in sediment were in accordance with a gradient which goes from conditions influenced by fresh water in the inner estuary to conditions influenced by sea water in the outer part of the estuary. The OM and THg in sediments presented similar variation patterns; they were higher in the rainy season than in the dry season and in the interior area of the estuary than in the exterior area. Despite the complex dynamic observed in the distribution and accumulation processes of mercury in sediments, these processes could be modeled from OM and salinity parameters. Due to the correlations found, in the process of accumulation of mercury in sediments the OM could represents the pathway of transport and accumulation of THg, and salinity could represent the influence of the hydroclimatic variations and environmental gradients of the estuary.
The Anti-Proliferative Effects of a Frankincense Extract in a Window of Opportunity Phase Ia Clinical Trial for Patients with Breast Cancer
Authors: Bonilla Ingrid V. , Garcia Denise , Abbott Andrea , Spruill Laura , Siegel Julie , Forcucci Jessica , Hanna George , Mukherjee Rupak , Hamann Mark , Hilliard Eleanor , Lockett Mark , Cole David J. , Klauber-DeMore Nancy
Published: September 2022

Background

Boswellic acids, the active components of frankincense, have been shown to suppress tumor proliferation and apoptosis in vitro with a strong clinical trial safety profile in patients with inflammatory diseases. We performed a Phase Ia window of opportunity trial of Boswellia serrata (B. serrata), the plant that produces frankincense, in patients with breast cancer to evaluate its biologic activity and safety.

Methods

This was a Phase Ia window of opportunity trial invasive breast cancer patients treated pre-operatively with B. Serrata (2400 mg/day PO) until the night before surgery. Paraffin-embedded sections from pretreatment diagnostic core biopsies were evaluated using a tunnel assay and immunohistochemistry staining with Ki-67 antibodies. A non-intervention control arm consisted of core and surgical tissue specimens from untreated patients was used to compare to patients treated with B. Serrata. The change in proliferation and apoptosis between diagnostic core specimens and specimens obtained at surgery was compared between the control and treatment groups using a two-tailed paired t-test.

Results

There was an increase in percent change in proliferation from core biopsy to surgical excision in the control group (n = 18) of 54.6 ± 21.4%. In the B. serrata-treated group there was a reduction in proliferation between core biopsy and excision (n = 18) of 13.8 ± 11.7%. The difference between core and surgical specimens was statistically significant between the control and B. serrata-treated groups (p = 0.008). There was no difference in change in apoptosis. There were no serious adverse events related to the drug.

Conclusion

Boswellia serrata inhibited breast cancer proliferation in vivo in a clinically well-tolerated Phase Ia window of opportunity trial.
Trial registration: ClinicalTrials.gov. Identifier NCT03149081, date of registration May 11, 2017
Entropy – Topsis Appraisal of Brake Friction Linings Developed From Composite Agricultural Wastes Using Optimum Manufacturing Process Parameters
Authors: Columbus Egbe Donald , Ogedengbe Tunde Isaac
Published: September 2022

In this study, the optimum process parameters for the manufacture of brake friction linings (BFLs) from palm kernel shells (PKS), periwinkle shell (PWS) and coconut shell (CNS) composites were established using Signal – to – Noise ratio based on the Taguchi technique. The L9(34) orthogonal array was set up for the investigation in respect of the performance metrics (coefficient of friction, wear rate and hardness) which were synergized by multiple criteria evaluation. The manufacturing parameters considered were molding pressure, molding temperature, curing time and heat treatment time. Consequently, the optimized parameters were utilized for the production of different BFLs composites of PKS/PWS/CNS mix. Finally, Entropy and TOPSIS techniques were employed to isolate the best composite for comparative analysis. The results shows that the optimum process parameters obtained are respectively 29 MPa (molding pressure), 120°C (molding temperature), 6 minutes (curing time) and 2 hrs. (heat treatment time). ANOVA conducted using Minitab 21.1.0.0 reveals the effect of the molding pressure and the curing time as statistically significant at α = 0.05 with a total contribution of 94.45%. Entropy-TOPSIS analysis gave sample S2pkpc with a composition of 12%PKS, 15%PWS, 18%CNS as the best formulation. Compared to asbestos BFL, the composite shows an improvement in the coefficient of friction (45.7%), wear rate (66%), density (60.2%), oil and water absorption (233%) and (542.8%) respectively. The vehicle live test conducted on a Peugeot 301 using S2pkpc BFL affirms satisfactory performance of the composite. However, increased wear rate was noted at vehicle speed above 90km/hr.
A 3D FEM-based model of laser heating and machining for selection of process parameters and scanning path in laser-assisted machining of Ti6Al4V
Authors: Divse Vishwas , Dubey Amit , Marla Deepak
Published: September 2022

An appropriate selection of the laser parameters is critical in realizing the potential of laser-assisted machining (LAM) for hard-to-cut materials. This work presents a 3D FEM-based model of laser heating in laser-assisted machining of Ti6Al4V to select the laser parameters. The model accounts for the effect of the laser-tool gap, laser scanning speed, laser power, and laser path (linear and sinusoidal). The laser heating is modeled using a moving continuous heat source with a Gaussian intensity distribution, implemented in Abaqus/explicitTM with the help of a VDFLUX subroutine. The results suggest that the laser-tool gap plays a significant role in heating the entire cutting region. Regardless of power and scanning speed, the laser-tool gap must be sufficient to allow heating of the cutting region. The laser power should be sufficient to soften the material in the cutting zone, but it can be minimized by choosing an optimal value of the laser-tool gap. Also, sinusoidal laser scanning produced the desired thermal softening effects at lower laser powers than linear laser scanning. Accordingly, similar cutting forces are observed in LAM with sinusoidal laser scanning at only half of the laser power as that of linear laser scanning. However, due to the fluctuations in the cutting force for sinusoidal laser scanning, it can be recommended only for rough cuts in machining. The study demonstrates that through an appropriate selection of the laser parameters, the entire cutting zone can be heated to temperatures between 300-500 oC, desired in the machining of Ti6Al4V.
Preparation and characterization of cellulose by delignification of Eteng (Ceiba pentandra) wood in formic acid-acetic acid-water solvent mixtures
Authors: Assonfack Herman Lekane , Yona Arnaud Maxime Cheumani , Ndinteh Derek , Lembe Jordan Tonga , Nga Josiane Bertille , Ndikontar Maurice Kor
Published: September 2022

Cellulose is a natural polymer obtained from plants with applications in various industrial sectors such as pulp and paper, textiles, coatings, fiber composites, and nanomaterials. This work studied the extraction of cellulose from a tropical agricultural plant residue (Ceiba pentandra) using formic acid (FA)-acetic acid (AA)-water (Wa) mixtures as a function of temperature, time, and composition the cooking solvent mixture. Three different volume ratios FA: AA: Wa of 50:30:20, 40:40:20 and 20:30:50 were investigated. Reaction temperature was varied between 80° and 107°C and the duration between 40 and 200 min. The efficacy of the cooking reaction was determined by the fiber percent yield and kappa number of the cooking residue. Cooking residues with relatively higher yields (50–70%) were obtained compared to the conventional Kraft method. The residues with yields between 50–60% were bleachable as revealed by their Kappa numbers of around 10–12. Some residues were bleached and the products were characterized by Fourier Transform Infrared (FTIR) spectroscopy, thermogravimetric analyses (TG-DTG) and X-ray diffraction (XRD). The results showed that the bleached products had properties close to those of commercial cellulose exhibiting almost similar FTIR spectra and TG-DTG curves. The activation energy of the cellulose was between 93–141 kJ mol-1showing that, for the case of high activation energy (141 kJ mol-1), cellulose of high quality was obtained. Formic acid, acetic acid and water mixtures can be used as relatively a soft route (at mild temperatures, atmospheric pressure) to produce cellulose from the tropical lignocellulosic residues ofCeiba pentandra.
Exploring the opinions and potential impact of unflavoured e-liquid on smoking cessation among UK smokers and smoking relapse among UK e-cigarette users: Findings from a qualitative study
Authors: Khouja Jasmine , Dyer Maddy L. , Havill Michelle A. , Dockrell Martin J. , Munafo Marcus , Attwood Angela S.
Published: September 2022

Background
Although electronic cigarettes (e-cigarettes) appear to be effective in helping smokers to stop smoking, concerns about use of e-cigarettes among young people have led to restrictions on non-tobacco flavoured e-liquids in some countries. However, these restrictions could reduce the appeal of these products to non-smoking youth but could have unintended consequences for smokers and e-cigarette users (vapers).
Methods
In this qualitative study, we aimed to explore smokers’ and vapers’ opinions of unflavoured e-liquids and their beliefs about how they would be impacted by hypothetical e-liquid flavour restrictions. UK adult smokers and vapers trialled an unflavoured e-liquid instead of their usual nicotine product for four hours and completed a survey and an online interview.
Results
Using Interpretive Phenomenological Analysis and graphically presented data, we found differences in smokers’ and vapers’ opinions of unflavoured e-liquid. If only unflavoured, tobacco flavoured, and menthol flavoured e-liquids remained on the UK market, some smokers and vapers may be unaffected, but some may be at a greater risk of relapsing to smoking or continuing smoking. Despite wanting to protect children from the harms of vaping, there was disagreement about whether flavour restrictions would be an effective method.
Conclusions
The findings indicate a potential adverse impact on smoking rates if e-liquid flavour restrictions are implemented in the UK.