bluuebunny/crossref_metadata_2025 huggingface dataset:
Baseline P2Y12 reactivity, kidney function, and CYP2C19 genotype determine clopidogrel responsiveness in acute stroke
Authors: Lee Yi-Chung , Liao Yi-Chu , Lin Chun-Jen , Chung Chih-Ping
Published: May 2023

Clopidogrel is the most-widely used platelet P2Y12-inhibitor for secondary-prevention of ischemic stroke. Platelet P2Y12 reactivity before and after inhibitors can be measured with blood sampling by commercialized system. We aimed to evaluate (1) whether high-on-clopidogrel platelet P2Y12 reactivity (HCPR) is associated with short-term vascular events and (2) the predictors of HCPR in acute stroke. The inclusion criterion was patients with acute stroke who received clopidogrel within 12–48 h after the onset. Platelet reactivity was assayed at baseline and after clopidogrel treatment using the VerifyNow system. The primary endpoint was recurrent ischemic events within 21 days after stroke. Among 190 patients, 32(16.9%) had recurrent ischemic stroke. Multivariate analyses showed that HCPR was significantly associated with the short-term events with an odds-ratio of 2.5 (95% CI 1.1–5.7, p = 0.027). Patients with HCPR had significantly higher frequencies of high baseline platelet P2Y12 reactivity, impaired kidney function, and carrying one or two CYP2C19 loss-of-function alleles. A poor clopidogrel response score combining these factors was developed. Ten percent of patients with score 0, 20.3% of those with score 1, 38.3% of those with score 2, and 66.7% of those with score 3 had HCPR (χ2-test, p < 0.001). Multivariate analyses showed that, compared with the score-0 group, the score-2 and -3 groups had higher risks of HCPR with hazard-ratios of 5.4 (95% CI 1.5–20.3, p = 0.012) and 17.4 (95% CI 3.4–88.9, p = 0.001) for developing recurrent ischemic strokes. The study emphasized the role of HCPR in ischemic stroke. We also developed an HCPR risk score, which could be used in clinical practice or trials, potentially with more precision, to weigh the clinical benefit of a tailored antiplatelet-strategy for patients with stroke.
Amplification of ammonia sensing performance through gate induced carrier modulation in Cur-rGO Silk-FET
Authors: Sett Avik , Sarkar Lisa , Majumder Santanab , Bhattacharyya Tarun Kanti
Published: May 2023

Uncontrolled human and industrial activities lead to the increase in demand for selective gas sensors for detection of poisonous gases in our environment. Conventional resistive gas sensors suffer from predetermined sensitivity and poor selectivity among gases. This paper demonstrates curcumin reduced graphene oxide-silk field effect transistor for selective and sensitive detection of ammonia in air. The sensing layer was characterized by X-ray diffraction, FESEM and HRTEM to confirm its structural and morphological features. Raman spectroscopy, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy was carried out to analyze the functional moieties present in the sensing layer. Curcumin reduced graphene oxide introduces sufficient hydroxyl groups in the sensing layer to provide high degree of selectivity towards ammonia vapors. The performance of the sensor device was evaluated at positive, negative and zero gate voltage. Carrier modulation in the channel through gate electrostatics revealed that the minority carriers (electrons) in p-type reduced graphene oxide plays a pivotal role in enhancement of sensitivity of the sensor device. The sensor response was enhanced to 634% for 50 ppm ammonia at 0.6 V gate voltage compared to 23.2% and 39.3% at 0 V and − 3 V respectively. The sensor exhibited faster response and recovery at 0.6 V owing to higher mobility of electrons and quick charge transfer mechanism. The sensor exhibited satisfactory humidity resistant characteristics and high stability. Hence, curcumin reduced graphene oxide-silk field effect transistor device with proper gate bias elucidates excellent ammonia detection and may be a potential candidate for future room temperature, low power, portable gas detection system.
Adsorption behavior of furan at Ge(100) surface
Authors: Nam Jeong-Woo , Lee Han-Koo , Kim Byeong-Seon , Gwag Jin Seog , Kim Youngsoo , Youn Young-Sang
Published: May 2023

The adsorption behavior of furan on the Ge(100) surface was studied using a combination of high-resolution photoemission spectroscopy (HRPES) and density functional theory (DFT) calculations. We identified the two adsorption species produced by the [4 + 2] cycloaddition and deoxygenation reactions of furan with the Ge(100) surface in a ratio of approximately 76:24 at the surveyed coverages, via an analysis of the binding energies and relative area proportions of all the peaks in the C 1s and O 1s core-level spectra. The DFT simulation results revealed that the [4 + 2] cycloaddition and deoxygenation adducts are thermodynamically preferred by the reaction of furan with the Ge(100) surface compared with others, which is consistent with the HRPES results. The findings will further our understanding of the surface reactions of five-membered heterocyclic molecules.
A nomogram to predict postoperative surgical site infection of adult patients who received orthopaedic surgery: a retrospective study
Authors: Huang Xu’an , Guo Yang , Fu Ribin , Li Hongwei
Published: May 2023

Surgical site infection is a common postoperative complication with serious consequences. This study developed a nomogram to estimate the probability of postoperative surgical site infection for orthopaedic patients. Adult patients following orthopaedic surgery during hospitalization were included in this study. We used univariate and multivariate logistic regression analyses to establish the predictive model, which was also visualized by nomogram. To evaluate the model performance, we applied the receiver operating characteristic curve, calibration curve, and decision curve analysis, which were utilized in external validation and internal validation. From January 2021 to June 2022, a total of 787 patients were enrolled in this study. After statistical analysis, five variables were enrolled in the predictive model, including age, operation time, diabetes, WBC, and HGB. The mathematical formula has been established as follows: Logit (SSI) = − 6.301 + 1.104 * (Age) + 0.669 * (Operation time) + 2.009 * (Diabetes) + 1.520 * (WBC) − 1.119 * (HGB). The receiver Operating Characteristic curve, calibration curve, and decision curve analysis presented a good performance of this predictive model. Our nomogram showed great discriminative ability, calibration, and clinical practicability in the training set, external validation, and internal validation.
Phenotyping floral traits and essential oil profiling revealed considerable variations in clonal selections of damask rose (Rosa damascena Mill.)
Authors: Kumar Ajay , Gautam Rahul Dev , Singh Satbeer , Chauhan Ramesh , Kumar Manish , Kumar Dinesh , Kumar Ashok , Singh Sanatsujat
Published: May 2023

Damask rose (Rosa damascena Mill.) is a high-value aromatic plant species belonging to the family Rosaceae. It is being cultivated throughout the world for rose essential oil production. Besides its higher demand in the aromatic and cosmetic industry, the essential oil obtained has many pharmacological and cytotoxic activities. The primary concern of growers with the available varieties of damask rose is short flowering duration, low essential oil content and unstable yield. Thus, there is a requirement for developing new stable varieties with higher flower yield and essential oil content. The present study evaluated the variations in the flower yield parameters, essential oil content, and essential oil compounds in different clonal selections of damask rose. These clonal selections have been developed through a half-sib progeny approach from commercially available varieties 'Jwala' and 'Himroz.' The fresh flower yield varied from 629.57 to 965.7 g per plant, while the essential oil content ranged from 0.030–0.045% among the clonal selections. The essential oil profiling via gas chromatography–mass spectrometry revealed significant variations in the essential oil compounds. Acyclic monoterpene alcohols citronellol (20.35–44.75%) and geraniol (15.63–27.76%) were highest, followed by long-chain hydrocarbons, i.e., nonadecane (13.02–28.78%). The clonal selection CSIR-IHBT-RD-04 was unique in terms of the highest citronellol content (44.75%) and citronellol/geraniol (C/G) ratio of 1.93%. This selection has the potential use as a parental line in future genetic improvement programs of damask rose to achieve higher yield and better quality of rose essential oil.
Sulfur metabolism in subtropical marine mangrove sediments fundamentally differs from other habitats as revealed by SMDB
Authors: Mo Shuming , Yan Bing , Gao Tingwei , Li Jinhui , Kashif Muhammad , Song Jingjing , Bai Lirong , Yu Dahui , Liao Jianping , Jiang Chengjian
Published: May 2023

Shotgun metagenome sequencing provides the opportunity to recover underexplored rare populations and identify difficult-to-elucidate biochemical pathways. However, information on sulfur genes, including their sequences, is scattered in public databases. Here, we introduce SMDB (https://smdb.gxu.edu.cn/)—a manually curated database of sulfur genes based on an in-depth review of the scientific literature and orthology database. The SMDB contained a total of 175 genes and covered 11 sulfur metabolism processes with 395,737 representative sequences affiliated with 110 phyla and 2340 genera of bacteria/archaea. The SMDB was applied to characterize the sulfur cycle from five habitats and compared the microbial diversity of mangrove sediments with that of other habitats. The structure and composition of microorganism communities and sulfur genes were significantly different among the five habitats. Our results show that microorganism alpha diversity in mangrove sediments was significantly higher than in other habitats. Genes involved in dissimilatory sulfate reduction were abundant in subtropical marine mangroves and deep-sea sediments. The neutral community model results showed that microbial dispersal was higher in the marine mangrove ecosystem than in others habitats. The Flavilitoribacter of sulfur-metabolizing microorganism becomes a reliable biomarker in the five habitats. SMDB will assist researchers to analyze genes of sulfur cycle from the metagenomic efficiently.
Unsupervised machine learning effectively clusters pediatric spastic cerebral palsy patients for determination of optimal responders to selective dorsal rhizotomy
Authors: Hou Xiaobin , Yan Yanyun , Zhan Qijia , Wang Junlu , Xiao Bo , Jiang Wenbin
Published: May 2023

Selective dorsal rhizotomy (SDR) can reduce the spasticity in patients with spastic cerebral palsy (SCP) and thus improve the motor function in these patients, but different levels of improvement in motor function were observed among patients after SDR. The aim of the present study was to subgroup patients and to predict the possible outcome of SDR based on the pre-operational parameters. A hundred and thirty-five pediatric patients diagnosed with SCP who underwent SDR from January 2015 to January 2021 were retrospectively reviewed. Spasticity of lower limbs, the number of target muscles, motor functions, and other clinical parameters were used as input variables for unsupervised machine learning to cluster all included patients. The postoperative motor function change is used to assess the clinical significance of clustering. After the SDR procedure, the spasticity of muscles in all patients was reduced significantly, and the motor function was promoted significantly at the follow-up duration. All patients were categorized into three subgroups by both hierarchical and K-means clustering methods. The three subgroups showed significantly different clinical characteristics except for the age at surgery, and the post-operational motor function change at the last follow-up in these three clusters was different. Three subgroups clustered by two methods could be identified as “best responders”, “good responders” and “moderate responders” based on the increasement of motor function after SDR. Clustering results achieved by hierarchical and K-means algorithms showed high consistency in subgrouping the whole group of patients. These results indicated that SDR could relieve the spasticity and promote the motor function of patients with SCP. Unsupervised machine learning methods can effectively and accurately cluster patients into different subgroups suffering from SCP based on pre-operative characteristics. Machine learning can be used for the determination of optimal responders for SDR surgery.
Resistance to the larvicide temephos and altered egg and larval surfaces characterize salinity-tolerant Aedes aegypti
Authors: Sivabalakrishnan Kokila , Thanihaichelvan Murugathas , Tharsan Annathurai , Eswaramohan Thamboe , Ravirajan Punniamoorthy , Hemphill Andrew , Ramasamy Ranjan , Surendran Sinnathamby N.
Published: May 2023

Aedes aegypti, the principal global vector of arboviral diseases and previously considered to oviposit and undergo preimaginal development only in fresh water, has recently been shown to be capable of developing in coastal brackish water containing up to 15 g/L salt. We investigated surface changes in eggs and larval cuticles by atomic force and scanning electron microscopy, and larval susceptibility to two widely-used larvicides, temephos andBacillus thuringiensis,in brackish water-adaptedAe. aegypti. Compared to freshwater forms, salinity-tolerantAe. aegyptihad rougher and less elastic egg surfaces, eggs that hatched better in brackish water, rougher larval cuticle surfaces, and larvae more resistant to the organophosphate insecticide temephos.Larval cuticle and egg surface changes in salinity-tolerantAe. aegyptiare proposed to respectively contribute to the increased temephos resistance and egg hatchability in brackish water. The findings highlight the importance of extendingAedesvector larval source reduction efforts to brackish water habitats and monitoring the efficacy of larvicides in coastal areas worldwide.
Changes in resource perception throughout the foraging visit contribute to task specialization in the honey bee Apis mellifera
Authors: Moreno Emilia , Arenas Andrés
Published: May 2023

Division of labor is central to the ecological success of social insects. Among foragers of the honey bee, specialization for collecting nectar or pollen correlates with their sensitivity to sucrose. So far, differences in gustatory perception have been mostly studied in bees returning to the hive, but not during foraging. Here, we showed that the phase of the foraging visit (i.e. beginning or end) interacts with foraging specialization (i.e. predisposition to collect pollen or nectar) to modulate sucrose and pollen sensitivity in foragers. In concordance with previous studies, pollen foragers presented higher sucrose responsiveness than nectar foragers at the end of the foraging visit. On the contrary, pollen foragers were less responsive than nectar foragers at the beginning of the visit. Consistently, free-flying foragers accepted less concentrated sucrose solution during pollen gathering than immediately after entering the hive. Pollen perception also changes throughout foraging, as pollen foragers captured at the beginning of the visit learned and retained memories better when they were conditioned with pollen + sucrose as reward than when we used sucrose alone. Altogether, our results support the idea that changes in foragers' perception throughout the foraging visit contributes to task specialization.
Pinostrobin, a fingerroot compound, regulates miR-181b-5p and induces acute leukemic cell apoptosis
Authors: Norkaew Chosita , Subkorn Paweena , Chatupheeraphat Chawalit , Roytrakul Sittiruk , Tanyong Dalina
Published: May 2023

Pinostrobin (PN) is the most abundant flavonoid found in fingerroot. Although the anti-leukemic properties of PN have been reported, its mechanisms are still unclear. MicroRNAs (miRNAs) are small RNA molecules that function in posttranscriptional silencing and are increasingly being used in cancer therapy. The aims of this study were to investigate the effects of PN on proliferation inhibition and induction of apoptosis, as well as the involvement of miRNAs in PN-mediated apoptosis in acute leukemia. The results showed that PN reduced cell viability and induced apoptosis in acute leukemia cells via both intrinsic and extrinsic pathways. A bioinformatics approach and Protein–Protein Interaction (PPI) network analysis revealed that ataxia-telangiectasia mutated kinase (ATM), one of the p53 activators that responds to DNA damage-induced apoptosis, is a crucial target of PN. Four prediction tools were used to predict ATM-regulated miRNAs; miR-181b-5p was the most likely candidate. The reduction in miR-181b-5 after PN treatment was found to trigger ATM, resulting in cellular apoptosis. Therefore, PN could be developed as a drug for acute leukemia; in addition, miR-181b-5p and ATM may be promising therapeutic targets.
Retinal inner nuclear layer thickness in the diagnosis of cognitive impairment explored using a C57BL/6J mouse model
Authors: Maran Jack J. , Adesina Moradeke M. , Green Colin R. , Kwakowsky Andrea , Mugisho Odunayo O.
Published: May 2023

Major neurocognitive disorder (NCD) affects over 55 million people worldwide and is characterized by cognitive impairment (CI). This study aimed to develop a non-invasive diagnostic test for CI based upon retinal thickness measurements explored in a mouse model. Discrimination indices and retinal layer thickness of healthy C57BL/6J mice were quantified through a novel object recognition test (NORT) and ocular coherence tomography (OCT), respectively. Based on criteria from the Diagnostic and statistical manual of mental disorders 5th ed. (DSM-V), a diagnostic test was generated by transforming data into rolling monthly averages and categorizing mice into those with and without CI and those with a high or low decline in retinal layer thickness. Only inner nuclear layer thickness had a statistically significant relationship with discrimination indices. Furthermore, our diagnostic test was 85.71% sensitive and 100% specific for diagnosing CI, with a positive predictive value of 100%. These findings have potential clinical implications for the early diagnosis of CI in NCD. However, further investigation in comorbid mice and humans is warranted.
Community detection in multi-frequency EEG networks
Authors: Karaaslanli Abdullah , Ortiz-Bouza Meiby , Munia Tamanna T. K. , Aviyente Selin
Published: May 2023

Functional connectivity networks of the human brain are commonly studied using tools from complex network theory. Existing methods focus on functional connectivity within a single frequency band. However, it is well-known that higher order brain functions rely on the integration of information across oscillations at different frequencies. Therefore, there is a need to study these cross-frequency interactions. In this paper, we use multilayer networks to model functional connectivity across multiple frequencies, where each layer corresponds to a different frequency band. We then introduce the multilayer modularity metric to develop a multilayer community detection algorithm. The proposed approach is applied to electroencephalogram (EEG) data collected during a study of error monitoring in the human brain. The differences between the community structures within and across different frequency bands for two response types, i.e. error and correct, are studied. The results indicate that following an error response, the brain organizes itself to form communities across frequencies, in particular between theta and gamma bands while a similar cross-frequency community formation is not observed following the correct response.
Noradrenergic stimulation of α1 adrenoceptors in the medial prefrontal cortex mediates acute stress-induced facilitation of seizures in mice
Authors: Niitani Kazuhei , Ito Shiho , Wada Shintaro , Izumi Shoma , Nishitani Naoya , Deyama Satoshi , Kaneda Katsuyuki
Published: May 2023

Stress is one of the critical facilitators for seizure induction in patients with epilepsy. However, the neural mechanisms underlying this facilitation remain poorly understood. Here, we investigated whether noradrenaline (NA) transmission enhanced by stress exposure facilitates the induction of medial prefrontal cortex (mPFC)-originated seizures. In mPFC slices, whole-cell current-clamp recordings revealed that bath application of picrotoxin induced sporadic epileptiform activities (EAs), which consisted of depolarization with bursts of action potentials in layer 5 pyramidal cells. Addition of NA dramatically shortened the latency and increased the number of EAs. Simultaneous whole-cell and field potential recordings revealed that the EAs are synchronous in the mPFC local circuit. Terazosin, but not atipamezole or timolol, inhibited EA facilitation, indicating the involvement of α1 adrenoceptors. Intra-mPFC picrotoxin infusion induced seizures in mice in vivo. Addition of NA substantially shortened the seizure latency, while co-infusion of terazosin into the mPFC inhibited the effect of NA. Finally, acute restraint stress shortened the latency of intra-mPFC picrotoxin infusion-induced seizures, whereas prior infusion of terazosin reversed this stress-induced shortening of seizure latency. Our findings suggest that stress facilitates the induction of mPFC-originated seizures via NA stimulation of α1 adrenoceptors.
Comparative assessment of green and chemically synthesized glutathione capped silver nanoparticles for antioxidant, mosquito larvicidal and eco-toxicological activities
Authors: Yadav Radha , Preet Shabad
Published: May 2023

A comparative assessment of AgNPs synthesized through three different routes viz. clove bud extract mediated AgNPs, sodium borohydride AgNPs and Glutathione (GSH) capped AgNPs for antioxidant and mosquito larvicidal activities was the major focus of the present study. The nanoparticles were characterized using UV–VIS spectrophotometry, dynamic light scattering (DLS), X-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) and Fourier Transform Infrared Spectroscopy (FTIR) analysis. Characterization studies revealed the synthesis of stable, crystalline AgNPs measuring 28 nm, 7 nm and 36 nm for green, chemical and GSH-capped AgNPs respectively. FTIR analysis exhibited the surface functional moieties that were responsible for reduction, capping and stabilizing AgNPs. Antioxidant activity was found to be 74.11%, 46.62% and 58.78% for clove, borohydride and GSH-capped AgNPs respectively. Mosquito larvicidal bioactivity of AgNPs against Aedes aegypti IIIrd instar larvae depicted clove AgNPs being most effective (LC50—4.9 ppm, LC90—30.2 ppm) followed by GSH-capped (LC50—20.13 ppm, LC90—46.63 ppm) and borohydride AgNPs (LC50—13.43 ppm, LC90—160.19 ppm) after 24 h. Toxicity screening against aquatic model Daphnia magna revealed Clove mediated and GSH-capped AgNPs to be safer as compared to the borohydride AgNPs. It may be envisaged that green and capped AgNPs may be further explored for diverse biomedical and therapeutic applications.
Comparing the effects of four common drug classes on the progression of mild cognitive impairment to dementia using electronic health records
Authors: Xu Jie , Wang Fei , Zang Chengxi , Zhang Hao , Niotis Kellyann , Liberman Ava L. , Stonnington Cynthia M. , Ishii Makoto , Adekkanattu Prakash , Luo Yuan , Mao Chengsheng , Rasmussen Luke V. , Xu Zhenxing , Brandt Pascal , Pacheco Jennifer A. , Peng Yifan , Jiang Guoqian , Isaacson Richard , Pathak Jyotishman
Published: May 2023

The objective of this study was to investigate the potential association between the use of four frequently prescribed drug classes, namely antihypertensive drugs, statins, selective serotonin reuptake inhibitors, and proton-pump inhibitors, and the likelihood of disease progression from mild cognitive impairment (MCI) to dementia using electronic health records (EHRs). We conducted a retrospective cohort study using observational EHRs from a cohort of approximately 2 million patients seen at a large, multi-specialty urban academic medical center in New York City, USA between 2008 and 2020 to automatically emulate the randomized controlled trials. For each drug class, two exposure groups were identified based on the prescription orders documented in the EHRs following their MCI diagnosis. During follow-up, we measured drug efficacy based on the incidence of dementia and estimated the average treatment effect (ATE) of various drugs. To ensure the robustness of our findings, we confirmed the ATE estimates via bootstrapping and presented associated 95% confidence intervals (CIs). Our analysis identified 14,269 MCI patients, among whom 2501 (17.5%) progressed to dementia. Using average treatment estimation and bootstrapping confirmation, we observed that drugs including rosuvastatin (ATE = − 0.0140 [− 0.0191, − 0.0088], p value < 0.001), citalopram (ATE = − 0.1128 [− 0.125, − 0.1005], p value < 0.001), escitalopram (ATE = − 0.0560 [− 0.0615, − 0.0506], p value < 0.001), and omeprazole (ATE = − 0.0201 [− 0.0299, − 0.0103], p value < 0.001) have a statistically significant association in slowing the progression from MCI to dementia. The findings from this study support the commonly prescribed drugs in altering the progression from MCI to dementia and warrant further investigation.
Angiographic biomarkers are significant predictors of treatment response to intravitreal aflibercept in diabetic macular edema
Authors: Hein Martin , Vukmirovic Aleksandar , Constable Ian J. , Raja Vignesh , Athwal Arman , Freund K. Bailey , Balaratnasingam Chandrakumar
Published: May 2023

This prospective single-center study aims to identify biomarkers that predict improvement in best-corrected visual acuity (BCVA) and central retinal thickness (CRT) at 6 months, in 76 eyes with diabetic macular edema (DME) treated monthly with intravitreal aflibercept. At baseline, all patients underwent standardized imaging with color photography, optical coherence tomography (OCT), fluorescein angiography (FA) and OCT angiography (OCTA). Glycosylated hemoglobin, renal function, dyslipidemia, hypertension, cardiovascular disease and smoking were recorded. Retinal images were graded in a masked fashion. Baseline imaging, systemic and demographic variables were investigated to detect associations to BCVA and CRT change post aflibercept. Predictors of BCVA improvement included greater macular vessel density quantified using OCTA (p = 0.001) and low-density lipoprotein (LDL) ≥ 2.6 mmol/L (p = 0.017). Lower macular vessel density eyes showed a significant reduction in CRT but no BCVA improvement. Predictors of CRT reduction included peripheral non-perfusion seen on ultrawide-field FA (p = 0.005) and LDL ≥ 2.6 mmol/L (p < 0.001). Retinal angiographic biomarkers derived from OCTA and ultrawide-field FA may help predict functional and anatomic response to anti-vascular endothelial growth factor (VEGF) therapy in patients with DME. Elevated LDL is associated with treatment response in DME. These results may be used to better-select patients who will benefit from intravitreal aflibercept for treatment of DME.
Area-level associations of travel behaviour metrics with waist circumference: findings from linkage of travel and health surveys
Authors: Sugiyama Takemi , Cole Rachel , Hadgraft Nyssa , Owen Neville , Thompson Russel G. , Chandrabose Manoj
Published: May 2023

Individual-level analyses have consistently shown associations of travel behaviours with obesity-related measures. However, transport planning policies often target areas rather than individuals. To better inform transport-related policies and initiatives for obesity prevention, area-level relationships need to be investigated. This study linked data from two travel surveys with data from the Australian National Health Survey at the level of Population Health Areas (PHAs) and examined to what extent area-level travel behaviours metrics (prevalence of active travel, mixed travel and sedentary travel, diversity of travel modes) were associated with the rate of high waist circumference. Data from 51,987 travel survey participants were aggregated into 327 PHAs. Bayesian conditional autoregressive models were used to account for spatial autocorrelation. It was found that statistically replacing participants who relied on cars for travel (without walking/cycling) with those engaging in 30+ min/d of walking/cycling (without car use) was associated with a lower rate of high waist circumference. Areas with greater diversity of travel modes (mix of walking/cycling, car use, public transport use) also had lower prevalence of high waist circumference. This data-linkage study suggests that area-level transport planning strategies addressing car dependency, shifting car use to walking/cycling over 30 min/d, may help to reduce obesity.
Analysis of risk factors for postoperative mortality in acute type A aortic dissection patients under different critical levels
Authors: Zhu Xiyu , Wang Junxia , Chong Hoshun , Jiang Yi , Fan Fudong , Pan Jun , Cao Hailong , Xue Yunxing , Wang Dongjin , Zhou Qing
Published: May 2023

We built up a risk stratification model to divide acute type A aortic dissection (aTAAD) patients into low- and high-risk groups, further, to evaluate the risk factors for postoperative mortality. A total of 1364 patients from 2010 to 2020 in our center were retrospectively analyzed. More than twenty clinical variables were related with postoperative mortality. The postoperative mortality of the high-risk patients was doubled than the low-risk ones (21.8% vs 10.1%). The increased operation time, combined coronary artery bypass graft, cerebral complications, re-intubation, continuous renal replacement therapy and surgical infection were risk factors of postoperative mortality in low-risk patients. In addition, postoperative lower limbs or visceral malperfusion were risk factors, axillary artery cannulation and moderate hypothermia were protective factors in high-risk patients. A scoring system for quick decision-making is needed to select appropriate surgical strategy in aTAAD patients. For low-risk patients, different surgical treatments can be performed with similar clinical prognosis. Limited arch treatment and appropriate cannulation approach are crucial in high-risk aTAAD patients.
Testing pseudotopological and nontopological models for SMC-driven DNA loop extrusion against roadblock-traversal experiments
Authors: Barth Roman , Pradhan Biswajit , Kim Eugene , Davidson Iain F. , van der Torre Jaco , Peters Jan-Michael , Dekker Cees
Published: May 2023

DNA loop extrusion by structural-maintenance-of-chromosome (SMC) complexes has emerged as a primary organizing principle for chromosomes. The mechanism by which SMC motor proteins extrude DNA loops is still unresolved and much debated. The ring-like structure of SMC complexes prompted multiple models where the extruded DNA is topologically or pseudotopologically entrapped within the ring during loop extrusion. However, recent experiments showed the passage of roadblocks much bigger than the SMC ring size, suggesting a nontopological mechanism. Recently, attempts were made to reconcile the observed passage of large roadblocks with a pseudotopological mechanism. Here we examine the predictions of these pseudotopological models and find that they are not consistent with new experimental data on SMC roadblock encounters. Particularly, these models predict the formation of two loops and that roadblocks will reside near the stem of the loop upon encounter—both in contrast to experimental observations. Overall, the experimental data reinforce the notion of a nontopological mechanism for extrusion of DNA.
The relationship between heart rate variability and TNM stage, co-morbidity, systemic inflammation and survival in patients with primary operable colorectal cancer
Authors: McGovern Josh , Leadbitter Stephen , Miller Gillian , Hounat Adam , Kamande Irvine , Dolan Ross D. , Horgan Paul G. , Chang David K. , Jamieson Nigel B. , McMillan Donald C.
Published: May 2023

High vagal nerve activity, reliability measured by HRV, is considered protective in cancer, reducing oxidative stress, inflammation and opposing sympathetic nerve activity. The present monocentric study examines the relationship between HRV, TNM stage, co-morbidity, systemic inflammation and survival in patients who underwent potentially curative resections for colorectal cancer (CRC). Time-domain HRV measures, Standard Deviation of NN-intervals (SDNN) and Root Mean Square of Successive Differences (RMSSD), were examined as categorical (median) and continuous variables. Systemic inflammation was determined using systemic inflammatory grade (SIG) and co-morbidity using ASA. The primary end point was overall survival (OS) and was analysed using Cox regression. There were 439 patients included in the study and the median follow-up was 78 months. Forty-nine percent (n = 217) and 48% (n = 213) of patients were categorised as having low SDNN (< 24 ms) and RMSSD (< 29.8 ms), respectively. On univariate analysis, SDNN was not significantly associated with TNM stage (p = 0.830), ASA (p = 0.598) or SIG (p = 0.898). RMSSD was not significantly associated with TNM stage (p = 0.267), ASA (p = 0.294) or SIG (p = 0.951). Neither SDNN or RMSSD, categorical or continuous, were significantly associated with OS. In conclusion, neither SDNN or RMSSD were associated with TNM stage, ASA, SIG or survival in patients undergoing potentially curative surgery for CRC.
Microscopic ordering of supercooled water on the ice basal face
Authors: Mochizuki Kenji , Murata Ken-ichiro , Zhang Xuan
Published: May 2023

Growth of ice crystals is ubiquitous around us, but we still do not know what is occurring at the forefront of crystallization. In general, the interfacial structure is inseparably involved in the microscopic ordering during crystal growth. However, despite its importance in nature and technology, the intrinsic role of the interfacial structure in the melt growth of ice remains to be elucidated. Here, using extensive molecular dynamics simulations, we comprehensively explore how supercooled water molecules are incorporated into the ice basal face. Structural and dynamic characterizations of the ice-water interface demonstrate that the ice basal face is sharp at the molecular level and its growth proceeds layer-by-layer through two-dimensional nucleation without any intermediate structures. We further quantify the crossover from layerwise to adhesive growth, called kinetic roughening, with the height difference correlation and the normal growth rate analysis. Moreover, we identify the presence of an ultra-low density water layer in contact with the structural interface, which assists two-dimensional nucleation at a small amount of supercooling without involving any triggers, such as dislocations.
Spatial distribution of sedimentary DNA is taxon-specific and linked to local occurrence at intra-lake scale
Authors: Wang Yi , Wessels Martin , Pedersen Mikkel Winther , Epp Laura S.
Published: May 2023

Environmental archives, such as lake sediments, harbour DNA of past and present ecosystems. However, our understanding of the provenance, deposition and distribution of sedimentary DNA in lake systems is largely unknown, limiting the breadth of derived spatiotemporal inferences. By mapping the distribution of aquatic and terrestrial taxa in a large deep lake using metabarcoding, we characterise the spatial heterogeneity of sedimentary DNA and point to its potential driving factors. Taxa composition varies across geographic gradients in the lake, and spatial distribution of DNA is linked to the range and life mode of organisms. Exogenous taxa, such as alpine plants, have the most reliable detection near the mouth of the inflow. Our data reveal that sedimentary DNA is reflecting the mosaic distribution of organisms and organic remains in the environment, and a single location from lakes with watersheds across different elevations, biomes or other diversity boundaries does not capture the full dynamics in the surrounding area.
Tanning Chemistry: The Science of Leather
Authors: Covington Anthony D , Wise William R
Published: May 2023

This book offers a state-of-the-art view of leather making, based on the scientific principles underpinning the technology. In particular, it contributes to the understanding of the modern leather industry, allowing practitioners to make judgements about day-to-day problems in the tannery and how change can be applied in a predictable way. Major themes running through the book are the economics and environmental impact of leather making and how these will ensure the sustainability of the industry.

This second edition of Tony Covington’s Tanning Chemistry is a revision, update and extension in collaboration with a new co-author, Will Wise. The update reflects the advances made in the past decade, including a discussion of the impact of new information concerning the chemistry of sulfide. The original chapters have been re-organised and new chapters on novel modes of reagent delivery and the principles of finishing are now included. Enzymology is addressed as a separate topic, as are environmental impact and the future of leather.

The book will be useful to all those involved in the supply chain, from farm, through students, chemical suppliers and tanners, to leather goods brands. Leather science is the key to understanding leather technology, to make it work, to make it work better and to keep it ahead of the competition.
Biocatalysis in Organic Synthesis: The Retrosynthesis Approach
Authors: Turner Nicholas J , Humphreys Luke
Published: May 2023

The application of biocatalysis in organic synthesis is rapidly gaining popularity amongst chemists. Compared to traditional synthetic methodologies biocatalysis offers a number of advantages in terms of enhanced selectivity (chemo-, regio-, stereo-), reduced environmental impact and lower cost of starting materials. Together these advantages can contribute to more sustainable manufacturing processes across a wide range of industries ranging from pharmaceuticals to biofuels. The biocatalytic toolbox has expanded significantly in the past five years and given the current rate of development of new engineered biocatalysts it is likely that the number of available biocatalysts will double in the next few years.

This textbook gives a comprehensive overview of the current biocatalytic toolbox and also establishes new guidelines or rules for “biocatalytic retrosynthesis”. Retrosynthesis is a well known and commonly used technique whereby organic chemists start with the structure of their target molecule and generate potential starting materials and intermediates through a series of retrosynthetic disconnections. These disconnections are then used to devise a forward synthesis, in this case using biocatalytic transformations in some of the key steps. Target molecules are disconnected with consideration for applying biocatalysts, as well as chemical reagents and chemocatalysts, in the forward synthesis direction. Using this textbook, students will be able to place biocatalysis within the context of other synthetic transformations that they have learned earlier in their studies. This additional awareness of biocatalysis will equip students for the modern world of organic synthesis where biocatalysts play an increasingly important role.

In addition to guidelines for identifying where biocatalysts can be applied in organic synthesis, this textbook also provides examples of current applications of biocatalysis using worked examples and case studies. Tutorials enable the reader to practice disconnecting target molecules to find the ‘hidden’ biocatalytic reactions which can be applied in the synthetic direction. The book contains a complete description of the current biocatalyst classes that are available for use and also suggests areas where new enzymes are likely to be developed in the next few years. This textbook is an essential resource for lecturers and students studying synthetic organic chemistry. It also serves as a handy reference for practicing chemists who wish to embed biocatalysis into their synthetic toolbox.
Gene Therapy: An Evolving Story
Authors: Addison Courtney
Published: May 2023

This chapter provides readers with an introduction to some of the scientific, social and ethical dimensions of gene therapy. Gene addition therapy is the practice of administering a whole, healthy gene to a patient for the purpose of treating a genetic disease, though, in practice, this procedure varies widely according to disease type, body part treated and other factors. The chapter begins by explaining how genes can cause disease and how they can be used to treat disease, as well as discussing some of the technical challenges associated with this work. It then traces the history of the field, which began in the latter half of the 20th Century and saw the first patient treated in 1990. Scientific advances in gene therapy were closely tied to an evolving debate over the social and ethical merits and drawbacks of this work, which held great promise for treating disease but posed important questions about how far genetic interventions should go. Uncertainties about the field were compounded by controversial experiments, an American patients’ death, and the development of leukemia amongst several young European patients. The chapter reports on the state of gene therapy today: a few clinical trials have proven successful, but gene therapy is by no means a panacea for medicine more widely. New precise gene editing technologies are prompting renewed enthusiasm for and investment in the field, as well as raising further ethical questions to be explored in the future.
Protein Therapeutics and Blinding Diseases
Authors: Awwad Sahar , Khaw Peng T. , Brocchini Steve
Published: May 2023

Many ocular diseases are becoming more common, resulting in blindness that occurs in the back of the eye, which is also known as the posterior segment of the eye. Major blinding diseases include age-related macular degeneration (AMD) and diabetic retinopathy. Often there is inflammation and scarring that causes ocular tissue damage. There is an urgency and much unmet medical need to develop the right medicines and formulations to deliver them to treat posterior-segment diseases. Much medical need could be addressed by helping to prevent further damage and injury and to halt the progression of ocular disease. Direct injections, known as intravitreal (IVT) injections, of therapeutic proteins and the use of steroid implants in the vitreous cavity are currently the best clinical methods to achieve prolonged exposure in the posterior segment. As the molecular mechanisms of diseases have been uncovered, the development of protein therapeutics has significantly increased. There is also an increased focus on making more stable proteins, so they can be formulated and used in long-acting forms to reduce the frequency of IVT injections. Ophthalmic protein-based medicines will continue to be developed as molecular mechanisms involved in blinding diseases become better understood.
Synthetic Biology–Engineering Tomorrow's Medicines
Authors: Fletcher Liz , Rosser Susan
Published: May 2023

Synthetic biology marries our understanding of genetics and cell biology with the design principles of engineering to recreate or build de novo the functions of cells and tissues for the diagnosis, prevention and treatment of disease. Here we explore a few of the exciting possibilities afforded by this newly emerging field. We look at the role that synthetic biology can play in manufacturing more affordable medicines and in expediting the process of discovering safe and effective new drugs. We explore how a synthetic biology approach could help turn into reality the concept of ‘personalised medicine’, where a treatment is tailored to meet the specific needs of an individual rather than the ‘one-size-fits-all’ approach afforded by conventional medicine. We examine how synthetic biology could provide a radically new perspective on diagnosing and treating disease and how it might be applied to the design and delivery of cell-based therapies. Finally, we look at how synthetically engineering bacteria that colonise us (our microbiome) may benefit human health.
The Use of Databases in the Study of Intermolecular Interactions
Authors: Bacchi Alessia
Published: May 2023

Crystallographic databases are precious in many aspects for solid state chemists. In this contribution the most relevant crystallographic databases are briefly described and their use exemplified in addressing some problems relevant to the study of intermolecular interactions. A section summarizes statistical methods involved in expert use of databases. Knowledge-based applications are also outlined. A survey of relevant examples of the use of databases is presented, especially focussed on the investigation of intermolecular interactions. These certainly do not cover exhaustively the vast literature on the subject, but have been chosen both for their historical value and because they illustrate well the methods of data mining and elaboration of results.
On the Nature of Hydrogen–Hydrogen Bonding
Authors: García-Ramos Juan C. , Cortés-Guzmán Fernando , Matta Chérif F.
Published: May 2023

This chapter reviews the recent experimental and computational evidence that support the concept of “hydrogen–hydrogen (or H–H) bonding” which involves the interaction of two neutral hydrogen atoms or two hydrogen atoms bearing charges of the same sign, as a new class of weak interactions. The H–H bonding interaction gains importance due to its utility in rationalizing the stability of several systems where no other attractive interactions are involved such as crystalline structures of n-alkanes and polyhedranes. H–H bonding complements the list of long-known interactions that stabilize the structures of proteins and other macromolecules such as hydrogen-bonding and van der Waals interactions that play a crucial role in the description of chemical structural, stability, and reactivity. The elucidation of this weak interaction from the standpoint of the Quantum Theory of Atoms in Molecules (QTAIM) leads to a quantitative description that is testable by experiment, and provides new insight that broadens and expands our understanding of weak interactions, ubiquitous as they are in nature.
Minimizing the off-target frequency of the CRISPR/Cas9 system via zwitterionic polymer conjugation and peptide fusion
Authors: Han Yanjiao , Yuan Zhefan , Zhong Sijin Luo , Xu Haoxian , Jiang Shaoyi
Published: May 2023

The off-target frequency of CRISPR/Cas9 system can be significantly decreased via zwitterionic polymer conjugation or (EK)n peptide fusion while maintaining a similar level of on-target gene editing activity.
Photodynamic therapy based on porphyrin-based metal–organic frameworks
Authors: Xu Dongxu , Duan Qian , Yu Hui , Dong Wenyue
Published: May 2023

Synthesis and biomedical applications of porphyrin-based MOFs.
A novel online dispersive liquid–liquid microextraction for the spectrophotometric determination of free glycerol in biodiesel
Authors: Maringolo Vivian , Carvalho Alexandre Zatkovskis , Rocha Diogo Librandi
Published: May 2023

Accurate and precise online extraction and determination of free glycerol in biodiesel exploiting pulsed flows.
Recent advances in stimuli-responsive polymeric carriers for controllable CRISPR/Cas9 gene editing system delivery
Authors: Ma Panqin , Wang Qi , Luo Xi , Mao Liuzhou , Wang Zhanxiang , Ye Enyi , Loh Xian Jun , Li Zibiao , Wu Yun-Long
Published: May 2023

Stimulus-responsive polymer delivery vectors with modifiable architectures can load and deliver CRISPR gene editing systems in a controlled manner, which improves the effectiveness of gene editing towards potential clinical disease treatment.
Molybdenum(v)-mediated switching of the C(sp2)–Se bond of phenylselenyl-functionalized arenes or heterocycles under mild conditions
Authors: Zhang Ming , Nian Beifang , Wu Zhibang , Guo Jianhua , Chen Zhuo , Yuan Caifeng , Huang Xuankun , Shen Yiwen , Zhang Hongbin , Tang E.
Published: May 2023

A molybdenum(v)-mediated cleavage of the C(sp2)–Se bond and intramolecular oxidative C(sp2)–Se coupling reaction of phenylselenyl-functionalized arenes or heterocycles under mild conditions has been investigated.