bluuebunny/crossref_metadata_2025 huggingface dataset:
PTK6 inhibits autophagy to promote uveal melanoma tumorigenesis by binding to SOCS3 and regulating mTOR phosphorylation
Authors: Liu Bo , Yao Xueting , Zhang Chaoyang , Liu Yufen , Wei Li , Huang Qinying , Wang Mengting , Zhang Yanchen , Hu Danning , Wu Wencan
Published: January 2023

Autophagy dysfunction is one of the common causes of tumor formation and plays an important role in uveal melanoma (UM). However, little is known about the regulatory mechanisms of autophagy in UM. Here, we show that PTK6 can promote the proliferation, migration, and invasion of UM cells by inhibiting autophagy. SOCS3 can inhibit the proliferation, migration, and invasion of UM cells. Overexpression of SOCS3 can partially rescue the PTK6-induced promotion of UM cell proliferation, migration, and invasion. Mechanistically, PTK6 can bind to SOCS3, and SOCS3 can downregulate the expression of PTK6. Furthermore, PTK6 can upregulate the phosphorylation of mTOR to inhibit autophagy. Taken together, our findings demonstrate the functions of PTK6 and SOCS3 in UM cells and targeting the SOCS3-PTK6 signaling axis might be a novel and promising therapeutic strategy for patients with UM.
Small heat shock proteins operate as molecular chaperones in the mitochondrial intermembrane space
Authors: Adriaenssens Elias , Asselbergh Bob , Rivera-Mejías Pablo , Bervoets Sven , Vendredy Leen , De Winter Vicky , Spaas Katrien , de Rycke Riet , van Isterdael Gert , Impens Francis , Langer Thomas , Timmerman Vincent
Published: January 2023

Mitochondria are complex organelles with different compartments, each harbouring their own protein quality control factors. While chaperones of the mitochondrial matrix are well characterized, it is poorly understood which chaperones protect the mitochondrial intermembrane space. Here we show that cytosolic small heat shock proteins are imported under basal conditions into the mitochondrial intermembrane space, where they operate as molecular chaperones. Protein misfolding in the mitochondrial intermembrane space leads to increased recruitment of small heat shock proteins. Depletion of small heat shock proteins leads to mitochondrial swelling and reduced respiration, while aggregation of aggregation-prone substrates is countered in their presence. Charcot–Marie–Tooth disease-causing mutations disturb the mitochondrial function of HSPB1, potentially linking previously observed mitochondrial dysfunction in Charcot–Marie–Tooth type 2F to its role in the mitochondrial intermembrane space. Our results reveal that small heat shock proteins form a chaperone system that operates in the mitochondrial intermembrane space.
Using high-frequency household surveys to describe energy use in rural North India during the COVID-19 pandemic
Authors: Gould Carlos F. , Pillarisetti Ajay , Thompson Lisa M. , Saluja Sonakshi , Nandan Vagisha , Urpelainen Johannes
Published: January 2023

COVID-19 continues to exact a substantial toll on health. While mortality and morbidity associated with the pandemic are the most obvious impacts, social and economic disruptions are becoming apparent. There is reason to believe that the COVID-19 pandemic has slowed or reversed gains in clean household energy use in rural India. Here we describe phone surveys deployed repeatedly in Jharkhand and Bihar to describe pandemic-related changes in household socio-economic conditions and energy-use patterns. Over three-quarters of households reported hardships during the pandemic, including loss of employment and an inability to search for jobs. In turn, some of these households relied more on polluting fuels. Despite nearly all households preferring gas and electricity, we observed varied behaviours related to the cost of and access to these modern energy sources. We highlight the success of India’s three-free-cylinders scheme, with 90% of households aware of the programme and utilizing at least one free cylinder. These findings illustrate the utility of high-frequency energy-related questionnaires and suggest that interventions to improve clean fuel accessibility and affordability can increase the resilience of transitions to clean household energy.
Chem-map profiles drug binding to chromatin in cells
Authors: Yu Zutao , Spiegel Jochen , Melidis Larry , Hui Winnie W. I. , Zhang Xiaoyun , Radzevičius Antanas , Balasubramanian Shankar
Published: January 2023

Characterizing drug–target engagement is essential to understand how small molecules influence cellular functions. Here we present Chem-map for in situ mapping of small molecules that interact with DNA or chromatin-associated proteins, utilizing small-molecule-directed transposase Tn5 tagmentation. We demonstrate Chem-map for three distinct drug-binding modalities as follows: molecules that target a chromatin protein, a DNA secondary structure or that intercalate in DNA. We map the BET bromodomain protein-binding inhibitor JQ1 and provide interaction maps for DNA G-quadruplex structure-binding molecules PDS and PhenDC3. Moreover, we determine the binding sites of the widely used anticancer drug doxorubicin in human leukemia cells; using the Chem-map of doxorubicin in cells exposed to the histone deacetylase inhibitor tucidinostat reveals the potential clinical advantages of this combination therapy. In situ mapping with Chem-map of small-molecule interactions with DNA and chromatin proteins provides insights that will enhance understanding of genome and chromatin function and therapeutic interventions.
Precise transcript targeting by CRISPR-Csm complexes
Authors: Colognori David , Trinidad Marena , Doudna Jennifer A.
Published: January 2023

Robust and precise transcript targeting in mammalian cells remains a difficult challenge using existing approaches due to inefficiency, imprecision and subcellular compartmentalization. Here we show that the clustered regularly interspaced short palindromic repeats (CRISPR)-Csm complex, a multiprotein effector from type III CRISPR immune systems in prokaryotes, provides surgical RNA ablation of both nuclear and cytoplasmic transcripts. As part of the most widely occurring CRISPR adaptive immune pathway, CRISPR-Csm uses a programmable RNA-guided mechanism to find and degrade target RNA molecules without inducing indiscriminate trans-cleavage of cellular RNAs, giving it an important advantage over the CRISPR-Cas13 family of enzymes. Using single-vector delivery of the Streptococcus thermophilus Csm complex, we observe high-efficiency RNA knockdown (90–99%) and minimal off-target effects in human cells, outperforming existing technologies including short hairpin RNA- and Cas13-mediated knockdown. We also find that catalytically inactivated Csm achieves specific and durable RNA binding, a property we harness for live-cell RNA imaging. These results establish the feasibility and efficacy of multiprotein CRISPR-Cas effector complexes as RNA-targeting tools in eukaryotes.
Towards a structurally resolved human protein interaction network
Authors: Burke David F. , Bryant Patrick , Barrio-Hernandez Inigo , Memon Danish , Pozzati Gabriele , Shenoy Aditi , Zhu Wensi , Dunham Alistair S. , Albanese Pascal , Keller Andrew , Scheltema Richard A. , Bruce James E. , Leitner Alexander , Kundrotas Petras , Beltrao Pedro , Elofsson Arne
Published: January 2023

Cellular functions are governed by molecular machines that assemble through protein-protein interactions. Their atomic details are critical to studying their molecular mechanisms. However, fewer than 5% of hundreds of thousands of human protein interactions have been structurally characterized. Here we test the potential and limitations of recent progress in deep-learning methods using AlphaFold2 to predict structures for 65,484 human protein interactions. We show that experiments can orthogonally confirm higher-confidence models. We identify 3,137 high-confidence models, of which 1,371 have no homology to a known structure. We identify interface residues harboring disease mutations, suggesting potential mechanisms for pathogenic variants. Groups of interface phosphorylation sites show patterns of co-regulation across conditions, suggestive of coordinated tuning of multiple protein interactions as signaling responses. Finally, we provide examples of how the predicted binary complexes can be used to build larger assemblies helping to expand our understanding of human cell biology.
Development and validation of a nomogram model for individualized prediction of hypertension risk in patients with type 2 diabetes mellitus
Authors: Yang Jing , Wang Xuan , Jiang Sheng
Published: January 2023

Type 2 diabetes mellitus (T2DM) with hypertension (DH) is the most common diabetic comorbidity. Patients with DH have significantly higher rates of cardiovascular disease morbidity and mortality. The objective of this study was to develop and validate a nomogram model for the prediction of an individual's risk of developing DH. A total of 706 T2DM patients who met the criteria were selected and divided into a training set (n = 521) and a validation set (n = 185) according to the discharge time of patients. By using multivariate logistic regression analysis and stepwise regression, the DH nomogram prediction model was created. Calibration curves were used to evaluate the model's accuracy, while decision curve analysis (DCA) and receiver operating characteristic (ROC) curves were used to evaluate the model's clinical applicability and discriminatory power. Age, body mass index (BMI), diabetic nephropathy (DN), and diabetic retinopathy (DR) were all independent risk factors for DH (P < 0.05). Based on independent risk factors identified by multivariate logistic regression, the nomogram model was created. The model produces accurate predictions. If the total nomogram score is greater than 120, there is a 90% or higher chance of developing DH. In the training and validation sets, the model's ROC curves are 0.762 (95% CI 0.720–0.803) and 0.700 (95% CI 0.623–0.777), respectively. The calibration curve demonstrates that there is good agreement between the model’s predictions and the actual outcomes. The decision curve analysis findings demonstrated that the nomogram model was clinically helpful throughout a broad threshold probability range. The DH risk prediction nomogram model constructed in this study can help clinicians identify individuals at high risk for DH at an early stage, which is a guideline for personalized prevention and treatments.
Daily exposure to virtual nature reduces symptoms of anxiety in college students
Authors: Browning Matthew H. E. M. , Shin Seunguk , Drong Gabrielle , McAnirlin Olivia , Gagnon Ryan J. , Ranganathan Shyam , Sindelar Kailan , Hoptman David , Bratman Gregory N. , Yuan Shuai , Prabhu Vishnunarayan Girishan , Heller Wendy
Published: January 2023

Exposure to natural environments offers an array of mental health benefits. Virtual reality provides simulated experiences of being in nature when outdoor access is limited. Previous studies on virtual nature have focused mainly on single "doses" of virtual nature. The effects of repeated exposure remain poorly understood. Motivated by this gap, we studied the influence of a daily virtual nature intervention on symptoms of anxiety, depression, and an underlying cause of poor mental health: rumination. Forty college students (58% non-Hispanic White, median age = 19) were recruited from two U.S. universities and randomly assigned to the intervention or control group. Over several weeks, anxious arousal (panic) and anxious apprehension (worry) decreased with virtual nature exposure. Participants identifying as women, past VR users, experienced with the outdoors, and engaged with the beauty in nature benefited particularly strongly from virtual nature. Virtual nature did not help symptoms of anhedonic depression or rumination. Further research is necessary to distinguish when and for whom virtual nature interventions impact mental health outcomes.
SVCT2-GLUT1-mediated ascorbic acid transport pathway in rat dental pulp and its effects during wound healing
Authors: Ohkura Naoto , Yoshiba Kunihiko , Yoshiba Nagako , Edanami Naoki , Ohshima Hayato , Takenaka Shoji , Noiri Yuichiro
Published: January 2023

Ascorbic acid (AA; vitamin C) plays a crucial role in the biosynthesis and secretion of collagen to produce the organic matrix of hard tissues. Nevertheless, the detailed mechanism by which AA induces reparative dentinogenesis is still unknown. This study aimed to investigate the pathway and function of AA during wound healing in a rat pulpotomy model. Sodium-dependent vitamin C transporter (SVCT) 2 and glucose transporter (GLUT) 1 were detected in odontoblasts, endothelial cells, and nerve fibers in normal pulp tissues. SVCT2 and GLUT1 were also expressed in odontoblast-like cells in pulpotomized tissues of Wistar rats, and immunopositive cells of SVCT2 were significantly increased at 5 days after pulpotomy (p < 0.05). By contrast, osteogenic disorder Shionogi (ODS) rats, which cannot generate AA, also expressed SVCT2 and GLUT1 in normal and wound healing conditions. However, in ODS rats, when compared with the AA-addition group, the formation of dentin bridges in the AA-loss group was not evident, a layer of osteopontin was significantly increased beneath the wound surface (p < 0.05), and alpha smooth muscle actin at the odontoblast-like cells observed along this layer was significantly increased (p < 0.05), but not Nestin. Moreover, the amounts of type 1 collagen generated in the reparative dentin and beneath the wound healing site were significantly diminished (p < 0.05). Macrophages expressing CD68 and CD206 increased beneath the wound site. Hence, AA may be involved in odontoblast-like cell differentiation and anti-inflammatory response during dental pulp wound healing. Our results provide new insights into the function of AA through SVCT2 and GLUT1 in reparative dentinogenesis and may help in developing new therapeutic targets for dental pulpal disease.
Phase II study comparing nasal pressure monitoring with capnography during invasive endoscopic procedures: a single-center, single-arm trial
Authors: Nagashima Hiroki , Mikata Rintaro , Isono Shiroh , Ogasawara Sadahisa , Sugiyama Harutoshi , Ohno Izumi , Yasui Shin , Matsumura Tomoaki , Koroki Keisuke , Kusakabe Yuko , Miura Yoshifumi , Kan Motoyasu , Maruta Shikiko , Yamada Toshihito , Takemura Ryo , Sato Yasunori , Kato Jun , Kato Naoya
Published: January 2023

Nasal pressure signal is commonly used to evaluate obstructive sleep apnea. This study aimed to assess its safety for respiratory monitoring during sedation. A total of 45 adult patients undergoing sedation with propofol and fentanyl for invasive endoscopic procedures were enrolled. While both nasal pressure and capnograph signals were continuously recorded, only the nasal pressure signal was displayed. The primary outcome was the incidence of oxygen desaturation below 90%. The secondary outcomes were the ability to predict the desaturation and incidence of harmful events and false alarms, defined as an apnea waveform lasting more than 3 min without desaturation. Of the 45 participants, 43 completed the study. At least one desaturation event occurred in 12 patients (27.9%; 95% confidence interval 15.3–43.7%). In these 12 patients, more than half of the desaturation events were predictable in 9 patients by capnography and 11 patients by nasal pressure monitoring (p = 0.59). In the 43 patients, false alarms were detected in 7 patients with capnography and 11 patients with nasal pressure monitoring (p = 0.427). Harmful events unrelated to nasal pressure monitoring occurred in 2 patients. Nasal pressure monitoring is safe and possibly useful for respiratory monitoring despite false alarms during sedation.
Elucidating the toxicity mechanism of AFM2 and the protective role of quercetin in albino mice
Authors: Onur Muhammed , Yalçın Emine , Çavuşoğlu Kültiğin , Acar Ali
Published: January 2023

Aflatoxin M2(AFM2) is a type of mycotoxin detected in milk or dairy products from animals consuming contaminated feed. In this study, the toxicity mechanism of AFM2and the protective effects of quercetin were investigated in albino mice. For this purpose, the mice were divided into 6 groups and the groups were fed with quercetin and AFM2. The toxic effects of AFM2and the protective properties of quercetin were investigated using physiological, biochemical and cytogenetic parameters. The genotoxic mechanism of AFM2and the protective role of quercetin were investigated by molecular docking, which is an in silico model. As a result, 16 mg/kg b.w AFM2administration caused serious changes in body weight, organ index, kidney and liver weight, and deterioration of antioxidant/oxidant balance in liver and kidney organs. The decrease in glutathione levels along with an increase in malondialdehyde (MDA) levels in the liver and kidney after AFM2administration indicates that oxidative stress is induced. The increases in alanine transaminase (ALT) and aspartat transaminase (AST) levels, which are indicators of liver damage, and the increases in serum levels of blood urea nitrogen (BUN) and creatinine, which are indicators of kidney damage, confirm the damage in both organs. AFM2also caused genotoxicity by inducing micronucleus (MN) and chromosomal abnormalities (CAs) in bone marrow tissue. It has been determined that AFM2, which exhibits genotoxicity as a result of its clastogenic and aneugenic effects, causes CAs by interacting with DNA. Quercetin provided significant protection by improving liver and kidney tissues, partial normalization in serum parameter levels, and severe reductions in MN and CAs. The highest protection was determined as 74.1% against dicentric chromosome formations in 50 mg/kg b.w quercetin application. The interaction of quercetin with xanthine oxidase and nitric oxide synthase enzymes was determined in silico with an inhibition constant in the range of 283.71–476.17 nM. These interactions cause changes in the activity of enzymes, reducing the oxidative load in the cell, and in this way, quercetin provides protection. All toxic effects induced by AFM2were decreased with quercetin administration dose-dependently, and this protective effect was associated with quercetin's reduction of oxidative load by inhibiting the free radical-producing enzyme. All toxic effects caused by AFM2were decreased with quercetin administration in a dose-dependent manner, and this protective effect was associated with quercetin's reduction of oxidative load by inhibiting the enzyme that produces free radicals.
Effect of gonadotropin-releasing hormone agonist monotherapy and combination therapy with growth hormone on final adult height in girls with central precocious puberty
Authors: Cho Ah Young , Shim Young Suk , Lee Hae Sang , Hwang Jin Soon
Published: January 2023

This study aimed to compare clinical parameters, including final adult height (FAH), in girls with central precocious puberty treated with gonadotropin-releasing hormone agonists (GnRHa) with and without growth hormone (GH). This retrospective study reviewed data of 210 girls with precocious puberty who had reached FAH in a long-term trial of GnRHa treatment. The subjects were divided into the GnRHa treatment group (n = 188), and the combined GnRHa + GH treatment group (n = 22). Chronological age, bone age, height, height standard deviation score, predicted adult height (PAH), FAH, Tanner stage, and hormone levels were assessed during the treatment period. At the start of treatment, PAH was 156.35 ± 6.34 cm in the GnRHa monotherapy group and 150.41 ± 5.32 cm in the GnRHa + GH group (P < 0.001). At the end of treatment, PAH was 166.25 ± 5.26 cm in the GnRHa group and 164.07 ± 4.99 cm in the combined GnRHa + GH treatment group, which had increased compared to the start of treatment. The FAH in the GnRHa group and GnRHa + GH combination group were 161.07 ± 4.78 cm and 159.63 ± 3.8 6 cm, respectively, without significant difference. In addition, the height gain (FAH–PAH) was significantly higher in the GnRHa + GH group than the GnRHa group (9.22 ± 6.03 cm vs. 4.72 ± 5.01 cm, P < 0.001). In girls with central precocious puberty, the height gain in the FAH compared to PAH at the start of treatment was significantly higher with the GnRHa + GH combination treatment.
Evolution of acquired resistance in a ROS1+ KRAS G12C+ NSCLC through the MAPK pathway
Authors: Priest Katherine , Le Anh , Gebregzabheir Amanuail , Nijmeh Hala , Reis Gregory B. , Mandell Melanie , Davies Kurtis D. , Lawrence Carolyn , O’Donnell Emily , Doebele Robert C. , Bao Liming , Aisner Dara L. , Schenk Erin L.
Published: January 2023

Patients with metastatic NSCLC bearing a ROS1 gene fusion usually experience prolonged disease control with ROS1-targeting tyrosine kinase inhibitors (TKI), but significant clinical heterogeneity exists in part due to the presence of co-occurring genomic alterations. Here, we report on a patient with metastatic NSCLC with a concurrent ROS1 fusion and KRAS p.G12C mutation at diagnosis who experienced a short duration of disease control on entrectinib, a ROS1 TKI. At progression, the patient continued entrectinib and started sotorasib, a small molecule inhibitor of KRAS p.G12C. A patient-derived cell line generated at progression on entrectinib demonstrated improved TKI responsiveness when treated with entrectinib and sotorasib. Cell-line growth dependence on both ROS1 and KRAS p.G12C was further reflected in the distinct downstream signaling pathways activated by each driver. Clinical benefit was not observed with combined therapy of entrectinib and sotorasib possibly related to an evolving KRAS p.G12C amplification identified on repeated molecular testing. This case supports the need for broad molecular profiling in patients with metastatic NSCLC for potential therapeutic and prognostic information.
Urbanites’ mental health undermined by air pollution
Authors: Cao Zhi , Zhou Jingbo , Li Meng , Huang Jizhou , Dou Dejing
Published: January 2023

The rising mental health difficulties of the urban population in developing countries may be attributed to the high levels of air pollution. However, nationwide large-scale empirical works that examine this claim are rare. In this study, we construct a daily mental health metric using the volume of mental-health-related queries on the largest search engine in China, Baidu, to test this hypothesis. We find that air pollution causally undermines people’s mental health and that this impact becomes stronger as the duration of exposure to air pollution increases. Heterogeneity analyses reveal that men, middle-aged people and married people are more vulnerable to the impact of air pollution on mental health. More importantly, the results also demonstrate that the cumulative effects of air pollution on mental health are smaller for people living in cities with a higher gross domestic product per capita, more health resources, larger areas of green land and more sports facilities. Finally, we estimate that with a one-standard-deviation increase of fine particulate matter (26.3 μg m−3), the number of people who suffer from mental health problems in China increases by approximately 1.15 million. Our findings provide quantitative evidence for the benefits of reducing air pollution to promote mental health and well-being.
Uncertain future of sustainable fisheries environment in eastern boundary upwelling zones under climate change
Authors: Chang Ping , Xu Gaopeng , Kurian Jaison , Small R. Justin , Danabasoglu Gokhan , Yeager Stephen , Castruccio Frederic , Zhang Qiuying , Rosenbloom Nan , Chapman Piers
Published: January 2023

Upwelling along ocean eastern boundaries is expected to intensify due to coastal wind strengthening driven by increasing land-sea contrast according to the Bakun hypothesis. Here, the latest high-resolution climate simulations that exhibit drastic improvements of upwelling processes reveal far more complex future upwelling changes. The Southern Hemisphere upwelling systems show a future strengthening in coastal winds with a rapid coastal warming, whereas the Northern Hemisphere coastal winds show a decrease with a comparable warming trend. The Bakun mechanism cannot explain these changes. Heat budget analysis indicates that temperature change in the upwelling region is not simply controlled by vertical Ekman upwelling, but also influenced by horizontal heat advection driven by strong near-coast wind stress curl that is neglected in the Bakun hypothesis and poorly represented by the low-resolution models in the Coupled Model Intercomparison Project. The high-resolution climate simulations also reveal a strong spatial variation in future upwelling changes, which is missing in the low-resolution simulations.
Generation of difluorocarbenes and introduction of fluorinated one carbon units into carbonyl and related compounds
Authors: Fuchibe Kohei , Ichikawa Junji
Published: January 2023

Free and metal difluorocarbenes reacted with (thio)carbonyl compounds and silyl dienol ethers to provide difluoromethyl (thio)ethers, ring-fluorinated carbo/heterocycles and difluoroalkenes.
Graphdiyne aerogel architecture via a modified Hiyama coupling reaction for gas adsorption
Authors: Liu Qing , Li Jiaqiang , Hadjichristidis Nikos
Published: January 2023

A novel graphdiyne aerogel was successfully synthesized with excellent gas adsorption capacity.
A fluoride-free siliceous STW-type zeolite synthesized using a designed organic structure-directing agent
Authors: Jiao Feng , Zhang Jun , Cai Xianshu , Li Hao , Xu Yanan , Zhao Yue , Du Hongbin
Published: January 2023

Organic cation MDBN fits well in the STW cage and possesses strong guest–host interactions, which enables the templated synthesis of a chiral silica STW zeolite by a fluoride-free route.
Unveiling the dynamic Li+–solvent interaction evolution in lithium metal batteries
Authors: Wang Chen , Du Xiaofan , Li Jiedong , Wang Chao , Dong Shanmu , Cui Guanglei
Published: January 2023

For dilute electrolyte, more solvent decomposition during Li+ stripping process leads to inferior interface. Whereas the concentrated electrolyte possesses preferable interfacial stability due to relatively stable Li+–solvent interaction evolution.
Intimate relationship between C–I reductive elimination, aryl scrambling and isomerization processes in Au(iii) complexes
Authors: Fernández-Moyano Sara , Marcos-Ayuso Guillermo , Peñas-Defrutos Marconi N. , Bartolomé Camino , Espinet Pablo
Published: January 2023

The easier C–I reductive elimination, compared to other halides, promotes the ArF/I scrambling from [AuIIIArF2I2]− compounds, hindering the C–C coupling.
Building N-hydroxyphthalimide organocatalytic sites into a covalent organic framework for metal-free and selective oxidation of silanes
Authors: Wang Man , Fan Tao , Fang Lei , Gou Gaozhang , Yin Ying , Liu Mingxian , Li Liangchun
Published: January 2023

A novel covalent organic framework orderly embedding N-hydroxyphthalimide units as organocatalytic sites was synthesized to establish a metal-free, highly selective and efficient heterogeneous system for the oxidation of various silanes to silanols.
Breaking bonds and breaking rules: inert-bond activation by [(iPr3P)Ni]5H4 and catalytic stereospecific norbornene dimerization
Authors: Liu Junyang , Shoshani Manar M. , Sum Kethya , Johnson Samuel A.
Published: January 2023

64 Electrons, singlet–triplet gap of 2 kcal mol−1 and does inert bond activation and catalysis; that doesn’t follow the rules?
Probing the reactivity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) with metal cations and acids in acetonitrile by electrochemistry and UV-Vis spectroscopy
Authors: Ngueumaleu Yannick , Deutchoua Arlette Danelle Djitieu , Hanga Sarrah Sonita Poungoue , Liendji Rossel Wendji , Dedzo Gustave Kenne , Ngameni Emmanuel
Published: January 2023

High reactivity of DPPH in acetonitrile in the presence of strong acids (disproportionation) and copper (oxidation).
A Ni-MOF derived graphene oxide combined Ni3S2–Ni/C composite and its use in the separator coating for lithium sulfur batteries
Authors: Qian Xinye , Cheng Jian , Wang Yuhe , Jin Lina , Chen Jianyu , Hao Qingyuan , Zhang Ke
Published: January 2023

A Ni3S2–Ni@C(GO) composite was prepared by high temperature carbonization from Ni-MOF, and was coated on a PE film to use it as a Li–S battery separator. The Ni3S2–Ni@C(GO) composite has physical confinement and shows a catalytic effect on lithium polysulfides.
Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis
Authors: Zheng Wei , Liu Qi-Jun , Liu Fu-Sheng , Liu Zheng-Tang
Published: January 2023

The Raman intensity and other stoichiometric calculations of nitromethane (NM) and 2-nitrimino-5-nitro-hexahydro-1,3,5-triazine (NNHT) have been made by using first-principles density functional theory.
Density functional theory study of bulk properties of transition metal nitrides
Authors: Lynn Michael O. , Ologunagba Damilola , Dangi Beni B. , Kattel Shyam
Published: January 2023

Bulk properties of transition metal nitrides, an emerging class of materials studied using various DFT exchange and correlation functionals.
Synthesis, spectroscopic and structural properties of Sn(ii) and Pb(ii) triflate complexes with soft phosphine and arsine coordination
Authors: Cairns Kelsey R. , King Rhys P. , Bannister Robert D. , Levason William , Reid Gillian
Published: January 2023

Sn(ii) and Pb(ii) pnictine complexes with triflate and fluorinated tetraarylborate anions are reported and their solution behaviour probed by NMR spectroscopy; X-ray studies confirm that one or both of the triflates typically coordinate, giving diverse structures, whereas the BArF− is dissociated.
In situ growth of the CoO nanoneedle array on a 3D nickel foam toward a high-performance glucose sensor
Authors: Zhang Yue , Xia Pengkun , Fan Hui , Gao Xiaohui , Ouyang Fangping , Chen Wei
Published: January 2023

Benefitting from favorable electronic structure, CoO-400 nanoneedles show high sensitivity, low detection limit, high selectivity, good long-term stability, outstanding repeatability, and satisfactory reproducibility in glucose detection.
Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches
Authors: Olenius Tinja , Bergström Robert , Kubečka Jakub , Myllys Nanna , Elm Jonas
Published: January 2023

Evaluation of simplifications for multi-compound nucleation provides assessments of best practices and possible biases in model representation of nanoparticle formation.
Increased sensitivity in proton-transfer-reaction time-of-flight mass spectrometry by using a novel traveling wave based ion-molecule reactor
Authors: Guo Xing , Pu Juan , Dai Jianxiong , Wang Xin , Zhang Xinxue , Yang Yanting , Zhao Zhongjun , Duan Yixiang
Published: January 2023

A novel ion-molecule reactor based on traveling wave technology was developed for the first time. The proposed TW-IMR technology opens up a new avenue to enhance the performance of the existing PTR-TOFMS methods.
A microfluidic plasma separation device combined with a surface plasmon resonance biosensor for biomarker detection in whole blood
Authors: Debnath Nandini , Live Ludovic Saiveng , Poudineh Mahla
Published: January 2023

An integrated assay combining microfluidic passive plasma separation with surface plasmon resonance for protein biomarker detection in whole blood.
A promising mixed micellar approach to tune the oxidation of isoprenol by diperiodatoargentate(iii) in aqueous media
Authors: Kundu Sandip , Karmakar Priya , Rahaman Sk Mehebub , Mitra Mandira , Rajwar Sangita , Dhibar Subhendu , Layek Mousumi , Sar Pintu , Saha Bidyut
Published: January 2023

A green envelope of aqueous mixed micellar media composed of CPC and Brij-35 catalyzes the diperiodatoargentate(iii) governed oxidation of isoprenol.
In situ electrochemical metal (Co, Ni) oxide deposition on MoS2 nanosheets for highly efficient electrocatalytic water splitting
Authors: Zhong Yueyao , Wang Shouzhi , Zhang Lei
Published: January 2023

Bifunctional water splitting electrocatalyst metal (Co, Ni) Oxide decorated MoS2 nanosheets are fabricated by in situ electrochemical approach. The electrocatalytic performance in alkaline solution with high activity and good stability are achieved.
Adsorptive denitrogenation of model oil by MOF(Al)@GO composites: remarkable adsorption capacity and high selectivity
Authors: Hu Xin , Zuhra Zareen , Ali Shafqat , Zhou Yunshan , Zhang Lijuan , Duan Xiaoya , Zhao Zipeng
Published: January 2023

An as-synthesized recyclable Al-NDC@GO composite exhibited remarkable adsorption capacity and high selectivity for pyridine, quinoline and indole.
Facile route to high-mass-loading amorphous NiCo-MOFs as high-performance electrode materials for asymmetric supercapacitors
Authors: Yao Junnan , Ji Yajun , Lu Faxue , Shi Dong , Pei Lijun
Published: January 2023

In the current work, synthesis of an amorphous NiCo-MOF with an ultra-high mass loading (10.3 mg cm−2) and an ultra-thick plate structure was achieved via a one-step solvothermal method.
Hexagonal cobalt oxide nanosheet-based enzymeless electrochemical uric acid sensor with improved sensitivity
Authors: Nagal Vandana , Khan Marya , Masrat Sakeena , Alam Shamshad , Ahmad Akil , Alshammari Mohammed B. , Bhat Kiesar Sideeq , Ahmad Rafiq
Published: January 2023

A hexagonal cobalt oxide nanosheet based enzymeless electrochemical sensor showed an ultra-sensitive response for uric acid with excellent selectivity.
NiS gradient distribution on arrayed porous carbonized grapefruit peel for water splitting
Authors: Zhang Xiaoyun , Zhu Shifan , Song Lili , Xu Yixue , Wang Yuqiao
Published: January 2023

The Ni2+ combined with natural S to modulate NiS and S concentration gradient distribution and form NiS on APC, enhancing the electrocatalytic performance for water splitting.
Enzymatic synthesis of amlodipine amides and evaluation of their anti-Trypanosoma cruziactivity
Authors: Elso Orlando G. , Bivona Augusto E. , Cenizo Rocío , Malchiodi Emilio L. , García Liñares Guadalupe
Published: January 2023

An efficient lipase-catalyzed method for the amidation of amlodipine with aliphatic and phenylacetic acids in mild reaction conditions is described. Some compounds showed significant activity and selectivity againstTrypanosoma cruziamastigotes.
Semiconducting three-dimensional polymeric frameworks with full sp/sp2-carbon skeletons for efficient photocatalysis
Authors: Mushtaq Sidra , Meng Fancheng , Zhang Zixing , Bi Shuai , Zhang Fan
Published: January 2023

Semiconducting sp/sp2-carbon polymeric frameworks are derived from the key segments of fullerene and graphyne for promising visible-light photocatalysis.
Water oxidation by a dye-catalyst diad in natural sunlight: timing and coordination of excitations and reactions across timescales of picoseconds to hours
Authors: Massad Ramzi N. , Cheshire Thomas P. , Fan Chenqi , Houle Frances A.
Published: January 2023

Excitations and reactions in a dye−catalyst dyad for solar-driven water oxidation have timing mismatches caused by the stochastics of some catalytic steps. Rather than being perfectly meshed, these processes are like gears with missing teeth.
Impact of a suspension drop onto a hot substrate: diminution of splash and prevention of film boiling
Authors: Gajevic Joksimovic Marija , Schmidt J. Benedikt , Roisman Ilia V. , Tropea Cameron , Hussong Jeanette
Published: January 2023

In the present study, the effect of graphite lubricant additives on the dynamics of a single drop impact onto a heated surface has been investigated in the nucleate boiling and thermal atomization regimes.
Mechanocatalytic hydrogenolysis of benzyl phenyl ether over supported nickel catalysts
Authors: Tricker Andrew W. , Najmi Sean , Phillips Erin V. , Hebisch Karoline L. , Kang Jason X. , Sievers Carsten
Published: January 2023

Mechanocatalytic hydrogenolysis of benzyl phenyl ether, a model lignin ether, is performed under solvent-free conditions in a ball mill.
Bridged o-carborane–anthracene dyads as dual state emission luminogens: synthesis, characterization, and mechanochromic properties
Authors: Xu Chunyue , Li Tianrui , Miao Jinling , Liu Kexin , Nie Yong , Liu Guangning , Jiang Xuchuan
Published: January 2023

Bridged carborane–anthracene dyads 1 and 2 exhibit emissions both in solution and in solid state, and blue-shifted mechanochromic luminescence.
Structural features of sensory two component systems: a synthetic biology perspective
Authors: Nieves Marcos , Buschiazzo Alejandro , Trajtenberg Felipe
Published: January 2023

All living organisms include a set of signaling devices that confer the ability to dynamically perceive and adapt to the fluctuating environment. Two-component systems are part of this sensory machinery that regulates the execution of different genetic and/or biochemical programs in response to specific physical or chemical signals. In the last two decades, there has been tremendous progress in our molecular understanding on how signals are detected, the allosteric mechanisms that control intramolecular information transmission and the specificity determinants that guarantee correct wiring. All this information is starting to be exploited in the development of new synthetic networks. Connecting multiple molecular players, analogous to programming lines of code, can provide the resources to build new sophisticated biocomputing systems. The Synthetic Biology field is starting to revolutionize several scientific fields, such as biomedicine and agriculture, propelling the development of new solutions. Expanding the spectrum of available nanodevices in the toolbox is key to unleash its full potential. This review aims to discuss, from a structural perspective, how to take advantage of the vast array of sensor and effector protein modules involved in two-component systems for the construction of new synthetic circuits.
Self-assembly of shell protein and native enzyme in a crowded environment leads to catalytically active phase condensates
Authors: Kumar Gaurav , Sinha Sharmistha
Published: January 2023

The self-assembly of bacterial microcompartments is the result of several genetic, biochemical, and physical stimuli orchestrating inside the bacterial cell. In this work, we use 1,2-propanediol utilization microcompartments as a paradigm to identify the factors that physically drive the self-assembly of MCP proteins in vitro using its major shell protein and major encapsulated enzyme. We find that a major shell protein PduBB′ tends to self-assemble under macromolecular crowded environment and suitable ionic strength. Microscopic visualization and biophysical studies reveal phase separation to be the principle mechanism behind the self-association of shell protein in the presence of salts and macromolecular crowding. The shell protein PduBB′ interacts with the enzyme diol-dehydratase PduCDE and co-assemble into phase separated liquid droplets. The co-assembly of PduCDE and PduBB′ results in the enhancement of catalytic activity of the enzyme. The shell proteins that make up PduBB′ (PduB and PduB′) have contrasting self-assembly behavior. While N-terminal truncated PduB′ has a high self-associating property and forms solid assemblies that separates out of solution, the longer component of the shell protein PduBM38L is more soluble and shows least tendency to undergo phase separation. A combination of spectroscopic, imaging and biochemical techniques shows the relevance of divalent cation Mg2+ in providing stability to intact PduMCP. Together our results suggest a combination of protein–protein interactions and phase separation guiding the self-assembly of Pdu shell protein and enzyme in the solution phase.
The actin bundling activity of ITPKA mainly accounts for its migration-promoting effect in lung cancer cells
Authors: Küster Lukas , Paraschiakos Themistoklis , Karakurt Kader Ebru , Schumacher Udo , Diercks Björn-Philipp , Windhorst Sabine
Published: January 2023

Expression of Ins(1,4,5)P3-kinase-A (ITPKA), the neuronal isoform of Ins(1,4,5)P3-kinases, is up-regulated in many tumor types. In particular, in lung cancer cells this up-regulation is associated with bad prognosis and it has been shown that a high level of ITPKA increases migration and invasion of lung cancer cell lines. However, since ITPKA exhibits actin bundling and Ins(1,4,5)P3-kinase activity, it was not clear which of these activities account for ITPKA-promoted migration and invasion of cancer cells. To address this issue, we inhibited endogenous actin bundling activity of ITPKA in lung cancer H1299 cells by overexpressing the dominant negative mutant ITPKAL34P. Analysis of actin dynamics in filopodia as well as wound-healing migration revealed that ITPKAL34P inhibited both processes. Moreover, the formation of invasive protrusions into collagen I was strongly blocked in cells overexpressing ITPKAL34P. Furthermore, we found that ATP stimulation slightly but significantly (by 13%) increased migration of cells overexpressing ITPKA while under basal conditions up-regulation of ITPKA had no effect. In accordance with these results, overexpression of a catalytic inactive ITPKA mutant did not affect migration, and the Ins(1,4,5)P3-kinase-inhibitor GNF362 reversed the stimulating effect of ITPKA overexpression on migration. In summary, we demonstrate that under basal conditions the actin bundling activity controls ITPKA-facilitated migration and invasion and in presence of ATP the Ins(1,4,5)P3-kinase activity slightly enhances this effect.
A multi-dimensional view of context-dependent G protein-coupled receptor function
Authors: Marti-Solano Maria
Published: January 2023

G protein-coupled receptor (GPCR) family members can sense an extraordinary variety of biomolecules to activate intracellular signalling cascades that modulate key aspects of cell physiology. Apart from their crucial role in maintaining cell homeostasis, these critical sensory and modulatory properties have made GPCRs the most successful drug target class to date. However, establishing direct links between receptor activation of specific intracellular partners and individual physiological outcomes is still an ongoing challenge. By studying this receptor signalling complexity at increasing resolution through the development of novel biosensors and high-throughput techniques, a growing number of studies are revealing how receptor function can be diversified in a spatial, temporal or cell-specific manner. This mini-review will introduce recent examples of this context-dependent receptor signalling and discuss how it can impact our understanding of receptor function in health and disease, and contribute to the search of more selective, efficacious and safer GPCR drug candidates.
Interactions between amyloid, amyloid precursor protein, and mitochondria
Authors: Wilkins Heather M.
Published: January 2023

Mitochondrial dysfunction and Aβ accumulation are hallmarks of Alzheimer's disease (AD). Decades of research describe a relationship between mitochondrial function and Aβ production. Amyloid precursor protein (APP), of which Aβ is generated from, is found within mitochondria. Studies suggest Aβ can be generated in mitochondria and imported into mitochondria. APP and Aβ alter mitochondrial function, while mitochondrial function alters Aβ production from APP. The role these interactions contribute to AD pathology and progression are unknown. Here, we discuss prior research, the rigor of those studies, and the critical knowledge gaps of relationships between APP, Aβ, and mitochondria.
Overlapping community‐based particle swarm optimization algorithm for influence maximization in social networks
Authors: Zhang Lei , Liu Yutong , Yang Haipeng , Cheng Fan , Liu Qi , Zhang Xingyi
Published: January 2023

Influence maximization, whose aim is to maximise the expected number of influenced nodes by selecting a seed set of k influential nodes from a social network, has many applications such as goods advertising and rumour suppression. Among the existing influence maximization methods, the community‐based ones can achieve a good balance between effectiveness and efficiency. However, this kind of algorithm usually utilise the network community structures by viewing each node as a non‐overlapping node. In fact, many nodes in social networks are overlapping ones, which play more important role in influence spreading. To this end, an overlapping community‐based particle swarm optimization algorithm named OCPSO for influence maximization in social networks, which can make full use of overlapping nodes, non‐overlapping nodes, and their interactive information is proposed. Specifically, an overlapping community detection algorithm is used to obtain the information of overlapping community structures, based on which three novel evolutionary strategies, such as initialisation, mutation, and local search are designed in OCPSO for better finding influential nodes. Experimental results in terms of influence spread and running time on nine real‐world social networks demonstrate that the proposed OCPSO is competitive and promising comparing to several state‐of‐the‐arts (e.g. CGA, CMA‐IM, CIM, CDH‐SHRINK, CNCG, and CFIN).
Uncertainties in asteroseismic grid-based estimates of the ages of halo stars
Authors: Moser S. , Valle G. , Dell’Omodarme M. , Degl’Innocenti S. , Prada Moroni P. G.
Published: January 2023

Context. Stellar age determinations for field stars are crucial for studying the evolutionary history of the Galaxy. The vast majority of the research in this area has so far been focused on stars with typical disk characteristics.

Aims. Nowadays, the availability of high-quality asteroseismic data for stars with typical halo characteristics makes it possible to extend such investigations. The aim of this paper is to study the precision and theoretical biases in the age determinations of halo stars adopting both asteroseismic and classic observational constraints.

Methods. We adopt the well-tested SCEPtER pipeline, covering evolutionary phases up to the red giant branch (RGB). The fitting grids contain stars with mass in the range of [0.7; 1.0] M⊙ and metallicity [Fe/H] from −2.5 to −0.5, which are typical ranges seen in the halo population. We investigate several scenarios characterised by different adopted observational uncertainties. We also assess the impact of systematic discrepancies between the recovery grid models and target stars by computing several synthetic grids of stellar models with perturbed input physics.

Results. We achieve more precise asteroseismic age estimates for old metal-poor stars than for more metallic stars. In our reference scenario (errors in Δν and νmax of 2.5% and 5% respectively), we recover ages for stars in the main sequence (MS) or subgiant branch (SGB) with a typical 10%−20% precision, while we recover those of RGB stars with a precision of about 60%. However, recent observations allow tighter constraints on asteroseismic parameters by about a factor of 3. With this assumption, the age precision in RGB improved to 20%, while few modifications occur in the other analysed evolutionary phases. Our investigation of the relevance of systematic discrepancies between grid models and target stars shows that a mismatch in the mixing-length parameter value between grids and targets (from 1.9 to 1.74) leads to significant bias in the age estimations for MS stars (about 10%), but this bias is smaller for SGB and RGB stars. Neglecting the microscopic diffusion effect in the recovery grid leads to a typical 40% bias in age estimates for stars on the MS. Finally, we applied the age estimation technique to stars in globular clusters, adopting typical observational uncertainties from the literature. We find a precision in age estimates of around 20% for MS stars and up to 40% for RGB stars. These uncertainties are greater than those obtained with classical methods, which are therefore still to be preferred. We also applied the SCEPtER pipeline to the age determination of the stars of the cluster M4, relying on asteroseismic data for seven RGB stars from the literature. We obtain a cluster age of 11.9 ± 1.5 Gyr and a mass at the turn-of off 0.86 ± 0.04 M⊙, which are in good agreement with literature results.