bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dopamine 1 receptors inhibit apoptosis via activating CSE/H2S pathway in high glucose‐induced vascular endothelial cells
Authors: Li Hongzhu , Wu Ren , Xi Yuxin , Li Hongxia , Chang Guiquan , Sun Fengqi , Wei Can , Jiao Lijie , Wen Xin , Zhang Gensheng , Zaid Altaany , Hao Jinghui 
Published: March 2022

AbstractHigh glucose (HG)‐induced dysfunction of vascular endothelial cells plays a crucial role in the development of diabetic vascular complications. Inhibition of cystathionine γ‐synthase/hydrogen sulfide (CSE/H2S) pathway is one of the causes of vascular endothelial cell injury induced by HG. Dopamine D1 receptors (DR1) are widely expressed and regulate important physiological functions in the vascular system. However, the effect of DR1 inhibition on HG‐induced vascular endothelial apoptosis by regulating the CSE/H2S pathway is unclear. Therefore, we aimed to determine if DR1 can regulate the CSE/H2S pathway and regulate the effect of DR1 on HG‐induced apoptosis in human umbilical vein endothelial cells. In this study, we found that HG treatment significantly decreased the expression of DR1 and CSE and the endogenous content of H2S; DR1 agonist SKF 38393 reversed these effects, while sodium hydrosulfide (NaHS) only increased CSE expression and the endogenous H2S production and had no effect on DR1 expression. Meanwhile, HG significantly increased the intracellular calcium concentration ([Ca2+]i), and SKF 38393 further increased HG‐induced [Ca2+]i. In addition, HG increased the lactate dehydrogenase activity, malondialdehyde and reactive oxygen species contents, apoptotic rate, the expression of cleaved caspase‐3, caspase‐9, and cytochrome c, and the activity of phosphorylated‐inhibitor of nuclear factor‐kappaBα (NF‐κBα) (p‐IκBα) and phosphorylated‐NF‐κB (p‐NF‐κB), and reduced cell viability, superoxide dismutase activity, and Bcl‐2 expressions. SKF 38393 and NaHS markedly reversed the effect of HG. The effect of SKF 38393 was similar to N‐acetyl‐
l‐cysteine (an inhibitor of oxidative stress) or pyrrolidinedithiocarbamate ammonium (an NF‐kB inhibitor). Taken together, DR1 upregulates the CSE/H2S pathway by increasing the [Ca2+]i, which inhibits HG‐induced apoptosis via downregulating NF‐κB/IκBα pathway in vascular endothelial cells.
Performance of a Double‐Tube Heat Exchanger with Staggered Helical Fins
Authors: Wang Liming , Lei Yonggang , Jing Shenglan 
Published: March 2022

AbstractA novel double‐tube heat exchanger with staggered helical fins (DTHE‐SHF) is proposed. The mechanism of drag reduction and heat transfer enhancement was analyzed based on the theory of field synergy. Numerical simulations were conducted to study the thermal performance of the DTHE‐SHF. The effects of torsion angle and number of the SHF were investigated. The results indicated that, compared with the double tube heat exchanger with traditional straight helical fins (DTHE‐TSHF), the pressure drop of the DTHE‐SHF is reduced significantly, and the comprehensive performance of the DTHE‐SHF is improved by 10 %–30 %. The average synergy angle between the velocity field and the pressure field is optimized.
Porous Hierarchical Iron/Nitrogen co‐doped Carbon Etched by g‐C3N4 Pyrolysis as Efficient Non‐noble Metal Catalysts for PEM Fuel Cells
Authors: Zhang Lei , Li Lubing , Gao Ziliang , Guo Liejin , Li Mingtao , Su Jinzhan 
Published: March 2022

AbstractNon‐noble metal catalysts have captured much attention in the past years for their excellent performance regarding the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). In this research, an iron/nitrogen co‐doped carbon synthesized by transforming ZIF‐8 regular dodecahedron into hierarchical porous structure using pretreated g‐C3N4 as etching agent is introduced. The prepared catalyst (Fe‐ZIF/CN‐UC) exhibited remarkable ORR activity in acidic medium with a half‐wave potential of 0.7861 V (only 50 mV lower than that of the commercial Pt/C catalyst). After a 100000 s stability test, the catalytic performance decreased by 11 % (the half‐wave potential only loses 32 mV). Moreover, the produced Fe‐ZIF/CN‐UC electrocatalyst was applied as cathode catalyst of H2‐O2 PEMFCs and it displays a remarkable performance with current density of 2 A ⋅ cm−2 at 0.2 V vs. RHE and the maximum power density reaches 0.484 W ⋅ cm−2.
Two‐Photon Excited Fluorescent 3,3’‐Diamino‐5,5’‐Diboryl‐2,2’‐Bithienyls Featuring a Quadrupolar Structure
Authors: Chen Xing‐Yu , Liu Zhi‐Qiang , Zhao Cui‐Hua 
Published: March 2022

AbstractThe quest for fluorophores exhibiting large two‐photon absorption cross sections and high fluorescence efficiency is an important topic. Two 2,2’‐bithienyl derivatives are disclosed which contain two N,N‐disubstituted amino and two dimesitylboryl groups at 3,3’‐ and 5,5’‐positions, respectively. Despite the great steric effect of amino groups, the bithienyl skeleton still adopts a coplanar geometry. Herein, they are characterized by a quadrupolar structure and display good fluorescence efficiency and large two‐photon absorption cross sections up to 473 GM.
Luminescent Pyrrole‐Based Phosphaphenalene Gold Complexes: Versatile Anticancer Tools with Wide Applicability
Authors: Fermi Valentina , Regulska Elzbieta , Wolfram Anna , Wessling Patrick , Rominger Frank , Herold‐Mende Christel , Romero‐Nieto Carlos 
Published: March 2022

AbstractBrain cancer, one of the most lethal diseases, urgently requires the discovery of novel theranostic agents. In this context, molecules based on six‐membered phosphorus heterocycles – phosphaphenalenes – are especially attractive; they possess unique characteristics that allow precise chemical engineering. Herein, we demonstrate that subtle structural modifications of the phosphaphenalene‐based gold(I) complexes lead to modify their electronic distribution, endow them with marked photophysical properties and enhance their efficacy against cancer. In particular, phosphaphenalene‐based gold(I) complexes containing a pyrrole ring show antiproliferative properties in 14 cell lines including glioblastomas, brain metastases, meningiomas, IDH‐mutant gliomas and head and neck cancers, reaching IC50 values as low as 0.73 μM. The bioactivity of this new family of drugs in combination with their photophysical properties thus offer new research possibilities for both the fundamental investigation and treatment of brain cancer.
Non‐Covalent Interactions in Molecular Systems: Thermodynamic Evaluation of the Hydrogen‐Bond Strength in Amino‐Ethers and Amino‐Alcohols
Authors: Siewert Riko , Zherikova Kseniya V. , Verevkin Sergey P. 
Published: March 2022

AbstractThe intramolecular hydrogen bond (intra‐HB) is one of the best‐known examples of non‐covalent interactions in molecules. Among the different types of intramolecular hydrogen bonding, the NH⋅⋅⋅O hydrogen bond in amino‐alcohols and amino‐ethers is one of the weakest. In contrast to the strong OH⋅⋅⋅N intramolecular hydrogen bond, the strength of the NH⋅⋅⋅O bond can hardly be measured with conventional spectroscopic methods, even for simple amino‐alcohols, since the band belonging to the NH⋅⋅⋅O conformer merges with the free OH band. In this work, we developed a combination of G4 calculations, and a method based on experimental vaporization enthalpies to determine the NH⋅⋅⋅O hydrogen bonding strength. The archetypal compounds for this study are 2‐amino‐1‐ethanol and 3‐amino‐1‐propanol as well as their respective methoxy analogs. Based on these molecules, different series were studied to investigate various factors influencing NH⋅⋅⋅O intra‐HB strength. In the first series, the influence of alkylation near the hydroxy or methoxy group and the amino group in sterically hindered aminoalcohols was examined. In the second series, the influence of alkylation of the amino‐group was investigated. In the third series, the effect of extending the alkyl chain between functional groups was studied.
Photochemical Deracemization of a Medicinally‐Relevant Benzopyran using an Oscillatory Flow Reactor
Authors: Williams Jason D. , Pöchlauer Peter , Okumura Yoshiyuki , Inami Yukari , Kappe C. Oliver 
Published: March 2022

AbstractDynamic deracemization processes, such as crystallization‐induced diastereomer transformations (CIDTs), offer the opportunity to combine racemization and resolution processes, to provide high yields of enantiomerically pure compounds. To date, few of these processes have incorporated photochemical racemization. By combining batch crystallization with a flow photoreactor for efficient irradiation, it is possible to perform such deracemization in an effective, scalable and high yielding manner. After applying design of experiment (DoE) principles and mathematical modelling, the most efficient parameter set could be identified, leading to excellent results in just 4 h reaction time: isolated yield of 82 % and assay ee of 96 %. Such photochemical racemization methods can serve to open new avenues for preparation of enantiomerically pure functional molecules on both small and industrially‐relevant scales.
Effect of meso Positioned Substituents on the Stability and Photodynamic Activity of Lipid‐Membrane‐Incorporated Porphyrin Derivatives
Authors: Nishimura Kotaro , Shimada Risako , Yamana Keita , Kawasaki Riku , Nakaya Toshimi , Ikeda Atsushi 
Published: March 2022

AbstractIn this study we prepared aqueous solutions of lipid‐membrane incorporated tetraarylporphyrins and tetrapyridylporphyrin (LMIPors) by the injection method using dimethyl sulfoxide. The porphyrins with proton‐donor groups at the meso position afforded stable aqueous solutions of LMIPors. However, although tetrakis(carboxyphenyl)porphyrin was scarcely incorporated in lipid membranes, it was soluble in water. Among these LMIPors, the photodynamic activity of tetrakis(hydroxyphenyl)porphyrin was higher than that of tetrakis(aminophenyl)porphyrin. This was attributed to the self‐aggregation of a part of tetrakis(aminophenyl)porphyrin in the liposomes, which induced self‐quenching and the consequent decrease of its photodynamic activity.
Physiologically‐Based Pharmacokinetic‐Led Guidance for Patients With Cystic Fibrosis Taking Elexacaftor‐Tezacaftor‐Ivacaftor With Nirmatrelvir‐Ritonavir for the Treatment of COVID‐19
Authors: Hong Eunjin , Almond Lisa M. , Chung Peter S. , Rao Adupa P. , Beringer Paul M. 
Published: March 2022

Cystic fibrosis transmembrane conductance regulator (CFTR) modulating therapies, including elexacaftor‐tezacaftor‐ivacaftor, are primarily eliminated through cytochrome P450 (CYP) 3A–mediated metabolism. This creates a therapeutic challenge to the treatment of coronavirus disease 2019 (COVID‐19) with nirmatrelvir‐ritonavir in people with cystic fibrosis (CF) due to the potential for significant drug–drug interactions (DDIs). However, the population with CF is more at risk of serious illness following COVID‐19 infection and hence it is important to manage the DDI risk and provide treatment options. CYP3A‐mediated DDI of elexacaftor‐tezacaftor‐ivacaftor was evaluated using a physiologically‐based pharmacokinetic modeling approach. Modeling was performed incorporating physiological information and drug‐dependent parameters of elexacaftor‐tezacaftor‐ivacaftor to predict the effect of ritonavir (the CYP3A inhibiting component of the combination) on the pharmacokinetics of elexacaftor‐tezacaftor‐ivacaftor. The elexacaftor‐tezacaftor‐ivacaftor models were verified using independent clinical pharmacokinetic and DDI data of elexacaftor‐tezacaftor‐ivacaftor with a range of CYP3A modulators. When ritonavir was administered on Days 1 through 5, the predicted area under the curve (AUC) ratio of ivacaftor (the most sensitive CYP3A substrate) on Day 6 was 9.31, indicating that its metabolism was strongly inhibited. Based on the predicted DDI, the dose of elexacaftor‐tezacaftor‐ivacaftor should be reduced when coadministered with nirmatrelvir‐ritonavir to elexacaftor 200 mg–tezacaftor 100 mg–ivacaftor 150 mg on Days 1 and 5, with delayed resumption of full‐dose elexacaftor‐tezacaftor‐ivacaftor on Day 9, considering the residual inhibitory effect of ritonavir as a mechanism‐based inhibitor. The simulation predicts a regimen of elexacaftor‐tezacaftor‐ivacaftor administered concomitantly with nirmatrelvir‐ritonavir in people with CF that will likely decrease the impact of the drug interaction.
Metal‐Thiolate Framework for Electrochemical and Photoelectrochemical Hydrogen Generation
Authors: Chatterjee Sauvik , Shaymal Sanjib , Mukherjee Manjistha , Halder Debabrata , Chongdar Sayantan , Paul Ankan , Bhaumik Asim 
Published: March 2022

AbstractHydrogen has evolved as the cleanest and most sustainable fuel, produced directly from naturally abundant water resources. Generation of hydrogen by electrochemical or photoelectrochemical splitting of water has been conceived as the most effective method for hydrogen production. Herein, a robust solid metal‐thiolate framework (MTF‐1) was obtained by hydrothermal crystallization of the reaction mixture consisting of 1,3,5‐triazine‐2,4,6‐trithioltrisodium salt and CuIIunder mild synthesis conditions. The material was thoroughly characterized and explored as efficient catalyst for electrochemical and photoelectrochemical hydrogen evolution reaction (HER) via water splitting reactions. MTF‐1 showed onset potential 0.045 VRHEand overpotentialη(@10 mA cm−2) at 0.096 VRHE. The electrochemical surface area of MTF‐1 was found to be 509 m2 g−1. The photo current density at pH 5.0 was found to be 0.487 mA cm−2at 0.6 VRHE. The feasibility of the reaction pathway was correlated from the density function theory study, which suggested the complete downhill energetics indicating spontaneous electrochemical hydrogen generation in the acidic medium.
Cellulose‐Derived Carbon Dot‐Guided Growth of ZnIn2S4 Nanosheets for Photocatalytic Oxidation of 5‐Hydroxymethylfurfural into 2,5‐Diformylfuran
Authors: Qiu Jianhao , Zhang Lu , Dai Dingliang , Xia Guanglu , Yao Jianfeng 
Published: March 2022

AbstractCellulose‐derived carbon (CC) dot‐directed growth of ZnIn2S4 was achieved through hydrothermal treatment of carboxylated cellulose followed by in situ growth of ZnIn2S4 nanosheets. The carbon dots inherited from carboxylated cellulose equip plenty of surface carboxyl groups, which induce the ionic interaction with Zn2+ and In3+ and the guided growth of ZnIn2S4. As a result, the nanosheets of ZnIn2S4 are evenly and intimately grown on the small carbon dots, providing high‐speed channels for charges transfer. In conjunction with the reinforced visible‐light capture and good conductivity of carbon dots, the resultant CC/ZnIn2S4 shows an outstanding photocatalytic activity. As a proof‐of‐concept, visible‐light‐driven 5‐hydroxymethylfurfural oxidation into 2,5‐diformylfuran was conducted. The evolution of 2,5‐diformylfuran over the optimal CC/ZnIn2S4 sample can reach ∼2980 μmol g−1, about 3.4 times that of pristine ZnIn2S4. Additionally, the apparent quantum yield could attain 3.4 % at a wavelength of 400 nm.
Biomarker ratios
Authors: Cawley Adam , Keen Bethany , Tou Kathy , Elbourne Madysen , Keledjian John 
Published: March 2022

AbstractThe concept of biomarker measurements in the form of a ratio has not been explored in detail. This is surprising considering the current and future potential for biomarkers incorporating endogenous reference compounds (ERCs) in a range of fields. A selection of these relating to clinical and forensic applications, human antidoping, equine antidoping and veterinary residues are discussed.
Linear Phenylsilanes with PSi4P, PSi5P, and Si7 Backbones
Authors: Friebel Mike , Böhme Uwe , Kroke Edwin 
Published: March 2022

AbstractLinear α,ω‐diphosphaoligosilanes were prepared starting from 1,5‐dilithiodecaphenyl‐n‐pentasilane, Li(SiPh2)5Li, and chlorodiorganophosphanes. The compounds 1,5‐bis(diphenylphosphanyl)decaphenyl‐n‐pentasilane, (Ph2P)Si5Ph10(PPh2), 1,5‐bis(di‐iso‐propylphosphanyl)decaphenyl‐n‐pentasilane, (iPr2P)Si5Ph10(PiPr2), and 1,4‐bis(di‐iso‐propylphosphanyl)octaphenyl‐n‐tetrasilane, (iPr2P)Si4Ph8(PiPr2), were obtained in moderate to good yields and characterized with IR‐, Raman‐, UV‐, 31P‐, 29Si‐, and 1H‐NMR spectroscopy. Single crystal structure analyses of these three silanes show all‐transoid conformations of the atoms along the phosphorus‐silicon backbone of the molecules in the solid state. The silicon‐silicon and the silicon‐phosphorus‐bonds are elongated. This is caused by the complete substitution of these molecules by sterically demanding phenyl‐ and i‐propyl‐substituents and effective σ‐conjugation along the main chains. Hexadecaphenyl‐n‐heptasilane, Si7Ph16, was prepared for comparison with the other three compounds. The latter one shows a long wavelength UV‐absorption in the same region as 1,5‐bis(diphenylphosphanyl)decaphenyl‐n‐pentasilane.
Photo‐Induced Construction of N‐Aryl Amides by Fe Catalysis
Authors: Mei Yong‐Kang , Min Xiang‐Ting , Guo Shi‐Yu , Liu Chang‐Hui , Zhang Xiang‐Xin , Ji Ding‐Wei , Wan Boshun , Chen Qing‐An 
Published: March 2022

AbstractAmides have played a vital role in polymeric materials, natural products and pharmaceuticals. In recent years, transition metal catalyzed C−N bond formation reaction provides a reliable strategy for amides construction. Herein, we disclosed a photo‐induced electrophilic amidation reaction with N‐methoxyamides and arylboronic acids at low temperature using a simple iron salt as the catalyst precursor. Initial mechanistic studies suggested that crucial amide radical species was involved.
A Self‐powered Glucose Biosensor Based on Mediator‐free Hybrid Cu/Glucose Biofuel Cell for Flow Sensing of Glucose
Authors: Zhang Yuehan , Hao Shuai , Sun Xiaoxuan , Zhang He , Ma Qian , Zhai Junfeng , Dong Shaojun 
Published: March 2022

AbstractAdvanced glucose biosensors are highly desired for rapid, reliable and cost‐effective sensing of glucose. This work reports on a self‐powered glucose biosensor (SPGB) composed of a Cu anode and a glucose oxidase/Prussian blue/ITO biocathode. The SPGB is available for flow sensing of glucose, with a linear detection range of 0.10 and 1.20 mM, a high sensitivity of 35.62 μA ⋅ cm−2 ⋅ mM−1 and a detection limit of 14.34 μM (S/N=3). The SPGB is reproducible (RSD <5%) and has been successfully employed to determine glucose in juices with satisfactory recoveries (98–100 %).
Geochronology and geochemistry of the Ediacaran orthogneisses from the north Shahrekord (Sadegh‐Abad), Sanandaj‐Sirjan Zone: Insights into magmatic evolution of the Iranian basement
Authors: Davoudian Ali Reza , Bendokht Maryam , Shabanian Nahid , Azizi Hossein , Asahara Yoshihiro , Neubauer Franz , Genser Johann 
Published: March 2022

The metamorphosed Sadegh‐Abad granite from the north Shahrekord Metamorphic Complex (NSMC) of Sanandaj‐Sirjan Zone in west Iran shows evidence of ductile deformation. The augen to banded mylonitic granite (orthogneiss) involves sharp contacts with other rock units, including high‐grade metamorphic rocks, such as eclogite, amphibolite, and garnet amphibolite as well as schists. U–Pb zircon dating reveals that the crystallization of the granitic magma occurred at 568 ± 14 Ma (Late Neoproterozoic, Ediacaran). The Sadegh‐Abad mylonitic granite comprises high SiO2 (67–78 wt.%) and Na2O (3.23–7.79 wt.%) contents and low CaO (0.73–1.61 wt.%) and variable K2O concentrations (0.08–4.6 wt.%). The chondrite‐normalized REE diagram shows enrichment in LREE relative to HREE (Ce/Yb)N = 1.90 to 6.12), a negative Eu anomaly (Eu/Eu* = 0.10–0.66), and nearly flat HREE patterns (Tb/Yb)N = 0.94–1.44). These are interpreted to have originated from a continental crustal source. This is further supported by the high concentration of the alkali elements, U, Th, Rb, and the high 87Sr/86Sr(i) isotopic ratios (0.7086 to 0.7163). The lower HREEs abundances, negative Eu anomalies, and the low contents of mafic minerals may infer that partial melting of continental crust has taken place in low‐pressure conditions within the plagioclase stability field, possibly of pre‐existing calc‐alkaline bodies in the lower continental crust. The charge of heating probably occurred via the injection of mafic magmas into the tonalitic and granodioritic continental crust.
Astroglial cannabinoid signaling and behavior
Authors: Ramon‐Duaso Carla , Conde‐Moro Ana Rocio , Busquets‐Garcia Arnau 
Published: March 2022

AbstractIn neuroscience, the explosion of innovative and advanced technical accomplishments is fundamental to understanding brain functioning. For example, the possibility to distinguish glial and neuronal activities at the synaptic level and/or the appearance of new genetic tools to specifically monitor and manipulate astroglial functions revealed that astrocytes are involved in several facets of behavioral control. In this sense, the discovery of functional presence of type‐1 cannabinoid receptors in astrocytes has led to identify important behavioral responses mediated by this specific pool of cannabinoid receptors. Thus, astroglial type‐1 cannabinoid receptors are in the perfect place to play a role in a complex scenario in which astrocytes sense neuronal activity, release gliotransmitters and modulate the activity of other neurons, ultimately controlling behavioral responses. In this review, we will describe the known behavioral implications of astroglial cannabinoid signaling and highlight exciting unexplored research avenues on how astroglial cannabinoid signaling could affect behavior.
Interactions of physical activity, muscular fitness, adiposity, and genetic risk for NAFLD
Authors: Schnurr Theresia M. , Katz Sophia Figueroa , Justesen Johanne M. , O’Sullivan Jack W. , Saliba‐Gustafsson Peter , Assimes Themistocles L. , Carcamo‐Orive Ivan , Ahmed Aijaz , Ashley Euan A. , Hansen Torben , Knowles Joshua W. 
Published: March 2022

Abstract
Genetic predisposition and unhealthy lifestyle are risk factors for nonalcoholic fatty liver disease (NAFLD). We investigated whether the genetic risk of NAFLD is modified by physical activity, muscular fitness, and/or adiposity. In up to 242,524 UK Biobank participants without excessive alcohol intake or known liver disease, we examined cross‐sectional interactions and joint associations of physical activity, muscular fitness, body mass index (BMI), and a genetic risk score (GRS) with alanine aminotransferase (ALT) levels and the proxy definition for suspected NAFLD of ALT levels > 30 U/L in women and >40 U/L in men. Genetic predisposition to NAFLD was quantified using a GRS consisting of 68 loci known to be associated with chronically elevated ALT. Physical activity was assessed using accelerometry, and muscular fitness was estimated by measuring handgrip strength. We found that increased physical activity and grip strength modestly attenuate genetic predisposition to elevation in ALT levels, whereas higher BMI markedly amplifies it (all p values < 0.001). Among those with normal weight and high level of physical activity, the odds of suspected NAFLD were 1.6‐fold higher in those with high versus low genetic risk (reference group). In those with high genetic risk, the odds of suspected NAFLD were 12‐fold higher in obese participants with low physical activity versus those with normal weight and high physical activity (odds ratio for NAFLD = 19.2 and 1.6, respectively, vs. reference group). Conclusion: In individuals with high genetic predisposition for NAFLD, maintaining a normal body weight and increased physical activity may reduce the risk of NAFLD.