Article
Chemistry, Physical
Lucas M. Uriarte, Raffaele Vitale, Stanislaw Nizinski, Kyprianos Hadjidemetriou, Ninon Zala, Andras Lukacs, Gregory M. Greetham, Igor Sazanovich, Martin Weik, Cyril Ruckebusch, Stephen R. Meech, Michel Sliwa
Summary: This study investigates the structural characteristics of RsEGFP2 using femto- to millisecond time-resolved multiple-probe infrared spectroscopy (TRMPS-IR). The results reveal the presence of a subpicosecond twisted excited state precursor during the trans-to-cis isomerization process, and the chromophore takes approximately 100 ps to reach its final position within the protein pocket.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Immunology
Qiu-Yue Zhang, Can Jin, Hong-Min Zhou, Zi-Yan Ma, Yi-Zhe Zhang, Jia-Qi Liang, Jing Si, Hai-Jiao Li
Summary: Through re-examination of Chinese Cortinarius specimens, three new species, C. cinnamomeolilacinus, C. subclackamasensis, and C. tropicus, belonging to the sect. Anomali, were described in China based on morphological examination and phylogenetic analysis.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
(2023)
Article
Chemistry, Applied
Xin Yao, Wen Zhang, Bin Fang, Shengli Li, Yupeng Tian, Dandan Li
Summary: The newly designed and synthesized Pt-N1 exhibited excellent two-photon action cross-section in aggregation state with potential application in bioimaging.
Article
Chemistry, Multidisciplinary
Deyanira Gejsnaes-Schaad, Marco Meyer, Alessandro Prescimone, Catherine E. Housecroft, Edwin C. Constable
Summary: The synthesis and characterization of six new heteroleptic copper(I) compounds incorporating wide biteangle bisphosphanes combined with bipyridine derivatives are reported. The compounds exhibit yellow or green solid-state luminescence. The crystal structures of the complexes confirm the distorted tetrahedral copper(I) centers and the presence of arene-arene pi-stacking and C C...pi(arne) interactions.
Article
Chemistry, Inorganic & Nuclear
Jannika Woehler, Marco Meyer, Alessandro Prescimone, Catherine E. Housecroft, Edwin C. Constable
Summary: A series of copper complexes containing N-N chelating ligands were synthesized and fully characterized. These complexes exhibit weak emission in solution when excited in the region of metal-to-ligand charge transfer absorption. However, the powdered samples show relatively high photoluminescence quantum yields, and one of the complexes exhibits a longer excited-state lifetime, indicating thermally activated delayed fluorescence at ambient temperatures.
DALTON TRANSACTIONS
(2022)
Article
Mathematics
Yanlai Song, Stanford Shateyi, Jianying He, Xueqing Cui
Summary: This study derives the expected exposure for an interest rate swap using the logistic distribution and provides VaR as a risk measure for CVA under this distribution. It also gives generalizations for CVA VaR and CVA CVaR by considering both the credit spread and expected positive exposure with different parameters of the logistic distribution. Several simulations are conducted to support the theoretical discussions.
Article
Microbiology
Chunfang Liao, Indunil Chinthani Senanayake, Wei Dong, Kandawatte Wedaralalage Thilini Chethana, Khanobporn Tangtrakulwanich, Yunxia Zhang, Mingkwan Doilom
Summary: In this study, Apiospora species were collected from China and their phylogenetic affinities were clarified through multi-locus phylogeny analysis. Four new species were proposed and described based on distinctive morphological characteristics and molecular evidence.
Review
Medicine, General & Internal
Ioannis A. Voutsadakis
Summary: Breast cancer is influenced by nuclear receptors, including estrogen receptor, progesterone receptor, and androgen receptor. Non-steroid nuclear receptors, such as vitamin D receptor and thyroid receptors, also play a role in breast cancer pathophysiology. Thyroid hormones can affect breast cancer risk and cell survival through canonical receptors and additional membrane receptors. Understanding the implications of the thyroid axis in breast cancer is important for prognosis and treatment.
JOURNAL OF CLINICAL MEDICINE
(2022)
Article
Microbiology
Wenxin Su, Rong Xu, Chitrabhanu S. Bhunjun, Shangqing Tian, Yueting Dai, Yu Li, Chayanard Phukhamsakda
Summary: This study discovered new species in the family Cucurbitariaceae based on morphological and molecular data, and determined the importance of the beta-tubulin gene for species-level identification in this family.
Article
Chemistry, Physical
Maria Tenorio, Cesar Moreno, Manuel Vilas-Varela, Jesus Castro-Esteban, Pol Febrer, Miguel Pruneda, Diego Pena, Aitor Mugarza
Summary: This article investigates the stability of pyridine and pyrimidine moieties in the process of synthesizing graphene nanoribbons and analyzes their structural and electronic properties through experiments and calculations. The results demonstrate that specific N-heterocycles can be preserved throughout the entire reaction steps by lowering the reaction temperature.
Review
Cardiac & Cardiovascular Systems
Maria Laura Canale, Irma Bisceglia, Giuseppina Gallucci, Giulia Russo, Andrea Camerini, Stefania Angela Di Fusco, Andrea Paccone, Massimiliano Camilli, Damiana Fiscella, Chiara Lestuzzi, Fabio Maria Turazza, Michele Massimo Gulizia, Daniela Pavan, Nicola Maurea, Domenico Gabrielli, Fabrizio Oliva, Furio Colivicchi
Summary: The article emphasizes the importance of a specific and careful cardiac evaluation for women in cardio-oncology, discussing the impact of gender on disease development, treatment, and healthcare access.
FRONTIERS IN CARDIOVASCULAR MEDICINE
(2022)
Article
Chemistry, Physical
Myra Biedermann, Diddo Diddens, Andreas Heuer
Summary: This study introduces a concept of extending molecular dynamics simulations through reactive steps and provides a detailed mathematical derivation for computing the acceptance probability of these steps. A simulation program is developed based on this concept, and experiments show that it not only recovers correct thermodynamics but also ensures proper kinetics in the time evolution of the system.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Medicinal
Dhulfiqar Ali Abed, Ahmed R. Ali, Sumi Lee, Mai-Uyen Nguyen, Michael P. Verzi, Longqin Hu
Summary: Direct inhibition of the PPI between Keap1 and Nrf2 leads to Nrf2 accumulation and nuclear translocation, activating antioxidant response genes. A series of 1,4-bis(arylsulfonamido)naphthalene-N,N'-diacetic acid analogs were tested for Keap1-binding activity, with compound 24a showing the strongest binding affinity. In addition, compounds 12b, 15, and 24a were found to activate the Nrf2 pathway in NCM460D cells, increasing mRNA levels of GSTM3, HMOX1, and NQO1.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Microbiology
Rungtiwa Phookamsak, Hongbo Jiang, Nakarin Suwannarach, Saisamorn Lumyong, Jianchu Xu, Sheng Xu, Chun-Fang Liao, Putarak Chomnunti
Summary: Several saprobic fungi were collected and preliminarily identified during a survey of bambusicolous fungi in northern Thailand and southwestern China. Multigene phylogenetic analyses confirmed the presence of four new taxa belonging to different families. In addition, a fungus previously unrecorded in terrestrial habitats was reported for the first time.
Article
Nanoscience & Nanotechnology
Junqing Zheng, Dongyang Wang, Li-Dong Zhao
Summary: This study synthesized a new type of two-dimensional layered oxyselenide Bi6Cu2Se4O6 by combining the low thermal conductivity of BiCuSeO and the high electron carrier concentration of n-type Bi2O2Se. By introducing transition metal elements to increase the electron carrier concentration, the electrical transport properties were enhanced, achieving a peak ZT value of around 0.16 at 873 K, which is 60% higher than the ZT value in Bi6Cu2Se3.6Cl0.4O6. This work demonstrates that transition metal elements are effective n-type dopants to improve the thermoelectric performance of Bi6Cu2Se4O6.
SCRIPTA MATERIALIA
(2021)
Article
Psychology, Clinical
Steph Suddell, Maren Muller-Glodde, Jim Lumsden, Chung Yen Looi, Kiri Granger, Jennifer H. Barnett, Oliver J. Robinson, Marcus R. Munafo, Ian S. Penton-Voak
Summary: These studies demonstrate the effectiveness of delivering a multi-session online training program to promote lasting cognitive changes. However, there is currently no clear evidence that these changes can improve symptoms of anxiety and depression. However, there is evidence that individuals with more depressive symptoms at baseline experienced improved quality of life following the training.
PSYCHOLOGICAL MEDICINE
(2023)
Article
Psychology, Clinical
Catherine Hobbs, Jie Sui, David Kessler, Marcus R. Munafo, Katherine S. Button
Summary: This study examined the cognitive differences in self-reference, emotion, and reward processing among individuals with depression. The results showed that there was little association between self-reference and depression when measured independently. However, when self-reference was combined with emotion and reward processing, depression was associated with an increased positive bias towards others.
PSYCHOLOGICAL MEDICINE
(2023)
Article
Psychology, Clinical
Chloe Slaney, Adam M. Perkins, Robert Davis, Ian Penton-Voak, Marcus R. Munafo, Conor J. Houghton, Emma S. J. Robinson
Summary: Anhedonia, a core symptom of depression, is poorly understood. This study examined reward motivation and sensitivity in individuals with high and low anhedonia. The results suggest that anhedonia is associated with impairments in decision-making and reward sensitivity.
PSYCHOLOGICAL MEDICINE
(2023)
Article
Substance Abuse
Ilse Lee, Anna K. M. Blackwell, Alice Hobson, Danielle Wiggers, David Hammond, Katie De-Loyde, Mark A. Pilling, Gareth J. Hollands, Marcus R. Munafo, Theresa M. Marteau
Summary: This study found that reducing the number of cigarettes per pack from 25 to 20 can decrease the number of cigarettes smoked per day.
Article
Medicine, General & Internal
Robyn E. Wootton, Rebecca B. Lawn, Maria C. Magnus, Jorien L. Treur, Elizabeth C. Corfield, Pal R. Njolstad, Ole A. Andreassen, Deborah A. Lawlor, Marcus R. Munafo, Siri E. Haberg, George Davey Smith, Ted Reichborn-Kjennerud, Per Magnus, Alexandra Havdahl
Summary: Advice to improve fertility includes reducing alcohol and caffeine consumption, achieving a healthy weight, and quitting smoking. However, observational evidence used to inform these recommendations is often biased by confounding factors.
Article
Immunology
Chloe Slaney, Hannah M. Sallis, Hannah J. Jones, Christina Dardani, Kate Tilling, Marcus R. Munafo, George Davey Smith, Liam Mahedy, Golam M. Khandaker
Summary: The study investigated the associations between inflammatory markers and cognitive functioning in youth. The results suggest limited evidence of associations between inflammatory markers and cognitive measures. Furthermore, the study found no strong evidence of a potential causal effect of inflammation on cognitive functions.
BRAIN BEHAVIOR AND IMMUNITY
(2023)
Article
Public, Environmental & Occupational Health
Hannah M. Sallis, Robyn E. Wootton, George Davey Smith, Marcus R. Munafo
Summary: This study used a proxy gene-by-environment Mendelian randomization approach to investigate the causal effect of maternal smoking during pregnancy on offspring mental health. The results suggest that the effect of maternal smoking on offspring schizophrenia is dependent on offspring smoking status. However, there is no clear evidence of an association between maternal smoking heaviness and offspring depression.
INTERNATIONAL JOURNAL OF EPIDEMIOLOGY
(2023)
Article
Medicine, General & Internal
Georgina Russell, Konstantinos Kalafatakis, Claire Durant, Nicola Marchant, Jamini Thakrar, Russell Thirard, Jade King, Jane Bowles, Thomas Upton, Ngoc Jade Thai, Jonathan C. W. Brooks, Aileen Wilson, Kirsty Phillips, Stuart Ferguson, Meryem Grabski, Chris A. Rogers, Theodoros Lampros, Sue Wilson, Catherine Harmer, Marcus Munafo, Stafford L. Lightman
Summary: This study aimed to evaluate the impact of pump therapy on quality of life, mood, functional neuroimaging, behavioral and cognitive responses, sleep, and metabolism in patients with primary adrenal insufficiency. The results showed subjective improvements in fatigue and mood with pump therapy, and functional magnetic resonance imaging revealed differential neural processing to emotional cues and visual stimulation.
JOURNAL OF INTERNAL MEDICINE
(2023)
Article
Biochemical Research Methods
Jess Butler, Neil Jacobs, Malcolm Macleod, Marcus Munafo
Summary: There is a growing awareness that academic research could benefit from improvements, including open and transparent practices. The UK Reproducibility Network, along with other similar initiatives globally, is promoting rigorous and transparent research to address this issue.
JOURNAL OF NEUROSCIENCE METHODS
(2023)
Article
Multidisciplinary Sciences
D. van Ravenzwaaij, M. Bakker, R. Heesen, F. Romero, N. van Dongen, S. Cruwell, S. M. Field, L. Held, M. R. Munafo, M. M. Pittelkow, L. Tiokhin, V. A. Traag, O. R. van den Akker, A. E. van't Veer, E. J. Wagenmakers
Summary: Theoretical arguments and empirical investigations suggest that a significant number of published findings cannot be replicated and are likely to be false. This paper presents a comprehensive perspective on scientific error, focusing on reform history and future opportunities. It discusses institutional reform, methodological reform, statistical reform, and publishing reform, providing potential errors through the narrative of a fictional researcher. The resulting agenda aims to create a research culture with fewer errors and a scientific publication landscape with fewer false findings.
ROYAL SOCIETY OPEN SCIENCE
(2023)
Article
Multidisciplinary Sciences
Robert T. Thibault, Marton Kovacs, Tom E. Hardwicke, Alexandra Sarafoglou, John P. A. Ioannidis, Marcus R. Munafo
Summary: This article introduces a new research workflow called the Explore and Confirm Analysis Workflow (ECAW), which aims to reduce researcher bias and increase transparency in research. The study explores the potential application of ECAWs in the research community through a survey and presents the Avon Longitudinal Study of Parents and Children (ALSPAC) as a case example. The survey results suggest that ECAWs have the potential to serve their intended purpose and are relatively acceptable, although some researchers express reluctance to use ECAWs.
ROYAL SOCIETY OPEN SCIENCE
(2023)
Article
Medicine, General & Internal
Sarah E. Jackson, Jamie Brown, Lion Shahab, Ann McNeill, Marcus R. Munafo, Leonie Brose
Summary: In the last 3 years, people in England have faced a pandemic, cost-of-living issues, and healthcare crises, leading to worsening mental health. This study aimed to estimate trends in psychological distress among adults during this period and analyze differences based on various factors.
Article
Biology
Benjamin Woolf, Hannah M. Sallis, Marcus R. Munafo, Dipender Gill
Summary: This study used the method of genome-wide association study (GWAS) by subtraction to derive genome-wide summary statistics for paternal smoking from existing summary statistics. We derived a weighted linear model based on the laws of inherence and implemented it to subtract the summary statistics of a GWAS of maternal smoking from a GWAS of the index individual's smoking. A Monte-Carlo simulation was used to validate the model and showed similar performance to a traditional GWAS. The summary statistics were further validated in a Mendelian randomisation analysis, demonstrating an association of genetically predicted paternal smoking with paternal lung cancer and emphysema.
BMC RESEARCH NOTES
(2023)
Article
Biology
Benjamin Woolf, Dipender Gill, Hannah Sallis, Marcus R. Munafo
Summary: This study investigates the use of multivariable instrumental variables to address the adjustment problem in Mendelian randomisation analysis using smoking or lung function related phenotypes in the UK Biobank. The results suggest that multivariable instrumental variables analyses can attenuate potential collider bias, and adjusting for genotyping chip only introduces a small amount of bias.
BMC RESEARCH NOTES
(2023)
Article
Substance Abuse
Katherine Lloyd, Sean Harrison, Hannah M. Sallis, George Davey Smith, Marcus R. Munafo, Robyn E. Wootton
Summary: This study investigates the causal relationship between headache and smoking using Mendelian randomization. The findings suggest a weak bidirectional causal relationship between smoking behaviors and headache, indicating that they may share common risk factors such as personality traits.
NICOTINE & TOBACCO RESEARCH
(2023)
