bluuebunny/crossref_metadata_2025_split huggingface dataset:
Julius Wagner von Jauregg, Otto Diem and research methods for assessing the contributions of hereditary burden to mental illness risk: 1902–1906
Authors: Kendler Kenneth S. , Klee Astrid 
Published: February 2021

AbstractAfter decades of methodological stasis in 19th century psychiatric genetics, when uncontrolled studies reported high rates of hereditary burden in hospitalized patients, Koller completed the first controlled study in 1895. We pick up this narrative 7 years later when the well‐known Julius Wagner v. Jauregg published a biting critique of the then current psychiatric genetics' literature. In 1905, partially in response to Wagner v. Jauregg, Otto Diem attempted to replicate and extend Koller's study. Wagner v. Jauregg then wrote a follow‐up to his earlier critique in 1906, commenting on Diem's investigation. Themes discussed in this point‐counterpoint included the necessity of statistical methods to draw meaningful conclusions about the impact of hereditary burden on mental illness, the required sample size and proper selection of controls, the classes of relatives which should optimally be studied, the problems of obtaining accurate information on familial illnesses, the nature of the disorders in families which contribute to mental illness risk and the common unquestioned dogmatic belief that insanity is very often due to hereditary causes. Both Wagner v. Jauregg and Diem spoke out forcefully against the common assumption that hereditary burden operated in a deterministic fashion and emphasized the need to consider other causes of illness.
Structure–Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System**
Authors: De Zitter Elke , Hugelier Siewert , Duwé Sam , Vandenberg Wim , Tebo Alison G. , Van Meervelt Luc , Dedecker Peter 
Published: February 2021

AbstractAnisotropic environments can drastically alter the spectroscopy and photochemistry of molecules, leading to complex structure‐function relationships. We examined this using fluorescent proteins as easy‐to‐modify model systems. Starting from a single scaffold, we have developed a range of 27 photochromic fluorescent proteins that cover a broad range of spectroscopic properties, including the determination of 43 crystal structures. Correlation and principal component analysis confirmed the complex relationship between structure and spectroscopy, but also allowed us to identify consistent trends and to relate these to the spatial organization. We find that changes in spectroscopic properties can come about through multiple underlying mechanisms, of which polarity, hydrogen bonding and presence of water molecules are key modulators. We anticipate that our findings and rich structure/spectroscopy dataset can open opportunities for the development and evaluation of new and existing protein engineering methods.
Tautomeric Molecule Acts as a “Sunscreen” for Metal Halide Perovskite Solar Cells
Authors: Wang Yang , Zhang Zemin , Lan Yangjie , Song Qian , Li Mingzhu , Song Yanlin 
Published: February 2021

AbstractUV light always does great harm to perovskite solar cells, relentlessly degrading perovskites and shortening the lifetime of perovskite devices. Meanwhile, surface defects in perovskite films further accelerate the degradation process and serve as nonradiative charge recombination centers to deteriorate device efficiency. Herein, we demonstrate that a “sunscreen” molecule, 2‐hydroxy‐4‐methoxybenzophenone, not only protects the perovskite solar cell from UV degradation but also enables molecular defect passivation through interaction between functional groups and defects by molecular tautomerism under UV light illumination. Therefore, the sunscreen strategy efficiently enhances the UV endurance of PSCs and improves defect formation energy to −1.35 eV. The perovskite solar cell with sunscreen (sunscreen PSC) exhibits outstanding efficiencies of up to 23.09 % (0.04 cm2) and 19.73 % (1.00 cm2) as well as long‐term UV (UVa: 365 nm and UVb: 285 nm) stability.
Direct CO2 Capture and Reduction to High‐End Chemicals with Tetraalkylammonium Borohydrides
Authors: Lombardo Loris , Ko Youngdon , Zhao Kun , Yang Heena , Züttel Andreas 
Published: February 2021

AbstractWe demonstrate the ability of tetraalkylammonium borohydrides to capture large amounts of CO2, even at low CO2 concentrations, and reduce it to formate under ambient conditions. These materials show CO2 absorption capacities up to 30 mmol
g−1 at room temperature and 1 bar CO2. Every BH4− anion can react with three CO2 molecules to form triformatoborohydride ([HB(OCHO)3]−). The thermodynamics and kinetics of the reaction were monitored by a magnetic suspension balance (MSB). Direct CO2 capture and reduction from air was achieved with tetraethyl, ‐propyl, and ‐butylammonium borohydride. The alkyl chain length played an important role in the kinetics and thermodynamics of the reaction, especially in CO2 diffusivity (crystallinity and free‐volume), activation energy (charge‐transfer dependent on the alkyl chain), and hydrophobicity. Adding HCl gave formic acid and the corresponding chloride ammonium salt, which can be recycled. In addition, transfer of formate was achieved for the N‐formylation of an amine.
The Protein Corona Leads to Deformation of Spherical Micelles
Authors: Cao Cheng , Zhang Lin , Kent Ben , Wong Sandy , Garvey Christopher J. , Stenzel Martina H. 
Published: February 2021

AbstractThe formation of a non‐specific protein corona around nanoparticles (NPs) has been identified as one of the culprits for failed nanomedicine. The amount and type of adsorbed protein from the blood plasma are known to determine the fate of NPs and the accessibility of targeting ligands. Herein, we show that the adsorbed protein may not only enlarge the NPs and change their surface properties but also, in the case of soft NPs such as polymer micelles, lead to deformation. Poly(1‐O‐methacryloyl ‐β‐D‐fructopyranose)‐b‐poly(methylmethacrylate) (P(1‐O‐MAFru)‐b‐PMMA) block co‐polymers were self‐assembled into NPs with a spherical core–shell morphology as determined by small angle neutron scattering (SANS). Upon incubation with albumin, TEM, SANS, and small angle X‐ray scattering (SAXS) revealed the adsorption of albumin and deformation of the NPs with a spheroid geometry. Removal of the protein led to the reversal of the morphology back to the spherical core–shell structure. Structural studies and cell studies of uptake of the NPs imply that the observed deformation may influence blood circulation time and cell uptake.
Stimuli‐Responsive Manganese Single‐Atom Nanozyme for Tumor Therapy via Integrated Cascade Reactions
Authors: Zhu Yang , Wang Wenyu , Cheng Junjie , Qu Yunteng , Dai Yi , Liu Manman , Yu Jianing , Wang Chengming , Wang Huijuan , Wang Sicong , Zhao Chao , Wu Yuen , Liu Yangzhong 
Published: February 2021

AbstractThe single‐atom enzyme (SAE) is a novel type of nanozyme that exhibits extraordinary catalytic activity. Here, we constructed a PEGylated manganese‐based SAE (Mn/PSAE) by coordination of single‐atom manganese to nitrogen atoms in hollow zeolitic imidazolate frameworks. Mn/PSAE catalyzes the conversion of cellular H2O2to.OH through a Fenton‐like reaction; it also promotes the decomposition of H2O2to O2and continuously catalyzes the conversion of O2to cytotoxic.O2−via oxidase‐like activity. The catalytic activity of Mn/PSAE is more pronounced in the weak acidic tumor environment; therefore, these cascade reactions enable the sufficient generation of reactive oxygen species (ROS) and effectively kill tumor cells. The prominent photothermal conversion property of the amorphous carbon can be utilized for photothermal therapy. Hence, Mn/PSAE exhibits significant therapeutic efficacy through tumor microenvironment stimulated generation of multiple ROS and photothermal activity.
Engineering the Bandgap and Surface Structure of CsPbCl3 Nanocrystals to Achieve Efficient Ultraviolet Luminescence
Authors: Zhang Yunqin , Cheng Xiyue , Tu Datao , Gong Zhongliang , Li Renfu , Yang Yingjie , Zheng Wei , Xu Jin , Deng Shuiquan , Chen Xueyuan 
Published: February 2021

AbstractHerein, we report the design of novel ultraviolet luminescent CsPbCl3 nanocrystals (NCs) with the emission peak at 381 nm through doping of cadmium ions. Subsequently, a surface passivation strategy with CdCl2 is adopted to improve their photoluminescence quantum yield (PLQY) with the maximum value of 60.5 %, which is 67 times higher than that of the pristine counterparts. The PLQY of the surface passivated NCs remains over 50 % after one week while the pristine NCs show negligible emission. By virtue of density functional theory calculations, we reveal that the higher PLQY and better stability after surface passivation may result from the significant elimination of surface chloride vacancy (VCl) defects. These findings provide fundamental insights into the optical manipulation of metal ion‐doped CsPbCl3 NCs.
Combined transverse thoracis plane and pectoral nerve blocks for breast surgery under sedation
Authors: Helmich E. J. , Van Den Broek R. J. , Bloemen J. G. 
Published: February 2021

SummaryThe pectoral nerves 2 (pecs 2) block is widely used as adjunct to general anaesthesia for breast surgery. There are a few case reports and a single case series that describe regional anaesthesia as a single technique or supplemented by light to moderate sedation. Here we describe the management of a 91‐year‐old ASA physical status 4 patient who presented with a T4 breast malignancy. She was considered unfit for general anaesthesia due to significant valvular heart disease. A wide local excision was successfully performed under a pecs 2 block and a transverse thoracis plane block, supplemented with light sedation. We consider this technique to be a good option for selected patients who are considered unfit for general anaesthesia.
Elucidating the Roles of Fenton Reactants in Drug‐Treated Cells by Using a Selective Rhodamine‐Thiophenol Fluorogenic Sensor
Authors: Wang Zhanlong , Yeo Jia Hao , New Elizabeth J. 
Published: February 2021

AbstractWhile Fenton chemistry has long been known to play a role in inducing cellular stress, there has been recent renewed interest in understanding its roles in health and disease. Here we describe a fluorogenic rhodamine‐thiophenol probe, RTFt1, which applies both chelation and recognition strategies to sense the Fenton reactants, Fe(II) and H2O2. RTFt1 undergoes a 200‐fold increase in red fluorescence emission in the presence of both Fe(II) and H2O2. After confirming the suitability of this new probe in cellular models, we demonstrated its utility in sensing the Fenton chemistry that accompanies ferroptosis and cisplatin‐induced cytotoxicity. We found that levels of the Fenton reactants increased when cells were treated with cisplatin or co‐treated with cisplatin and tubastatin A. This points to a role for Fenton chemistry in the cytotoxic effects of these treatments. We expect that RTFt1 will be able to provide a deeper understanding of Fenton reactants more broadly in biological systems.
Proton exchange composite membranes comprisingSiO2, sulfonatedSiO2, and metal–organic frameworks loaded inSPEEKpolymer for fuel cell applications
Authors: Bisht Sanjay , Balaguru Sasikumar , Ramachandran Sathish Kumar , Gangasalam Arthanareeswaran , Kweon Jihyang 
Published: February 2021

AbstractProton exchange membrane fuel cell (PEMFC) is a promising technology that offers a clean and efficient renewable energy source. The hybrid SiO2, sulfonated SiO2(SSiO2), and metal–organic framework‐5 (MOF‐5) incorporated sulfonated poly (ether ether ketone) (SPEEK) ternary composite membranes are fabricated using dry phase inversion technique for PEMFC. The membrane performance is evaluated in terms of water uptake, ion exchange capacity, methanol permeability, and proton conductivity (PC) measurements. The morphological study of fabricated membranes was carried out using scanning electron microscopy and atomic force microscopy analysis. The mechanical stability is strengthened up to 30–40%, and the PC gets enhanced with the incorporation of MOF‐5, achieving simultaneous improvement in proton conduction and membrane stability. The PC of the ternary SPEEK/SSiO2/MOF‐5 membrane is 3.69 × 10−3S cm−1, 32% more than the neat membrane. A significant increase in selectivity of 23% is observed by incorporating SSiO2and MOF‐5 fillers when compared with the neat membrane. The synergistic effect of MOF‐5 and SSiO2in the ternary membrane has significantly improved water retention and proton conductivity. The functional SO3H groups of SiO2and MOF‐5 bonded via acid–base electrostatic interactions with the SPEEK; enhances proton conduction accompanied by suppressing the methanol penetration through membranes.
Amine/epoxy stoichiometric ratio dependence of crosslinked structure and ductility inamine‐curedepoxy thermosetting resins
Authors: Odagiri Nobuyuki , Shirasu Keiichi , Kawagoe Yoshiaki , Kikugawa Gota , Oya Yutaka , Kishimoto Naoki , Ohuchi Fumio S. , Okabe Tomonaga 
Published: February 2021

AbstractEpoxy‐amine thermosetting resins undergo different reactions depending on the amine/epoxy stoichiometric ratio (r). Although many desirable properties can be achieved by varying the stoichiometric ratio, the effects of the variation on the crosslinked structure and mechanical properties and the contribution of these factors to the ductility of materials have not been fully elucidated. This study investigates the brittle‐ductile behavior of epoxies with various stoichiometric ratios and performs curing simulations using molecular dynamics (MD) to evaluate the crosslinked structures. The molecular structure is predominantly branched in low‐stoichiometric ratio samples, whereas the chain extension type structure dominates the high‐stoichiometric ratio samples. As a result, the higher‐stoichiometric ratio samples enhances the ductility of materials and the elongation at break increases form 1.4% (r= 0.6) to 11.4% (r= 1.4). Additionally, the tensile strength (105.4 MPa) and strain energy (7.96 J/cm3) are maximum atr= 0.8 and 1.2, respectively. On the other hand, the Young's modulus is negatively impacted and it decreased from 4.2 to 2.7 GPa with increasing stoichiometric ratio.
Influence of chain extenders on the melt strength and thermal stability of polyglycolic acid
Authors: Chen Lanlan , Sun Xiaojie , Ren Yueqing , Wang Rong , Liang Wenbin , Duan Xuelei 
Published: February 2021

AbstractBiodegradable polyglycolic acid (PGA) has been attracting much attention recently. However, poor melt strength and thermal stability limit the processing of PGA by methods such as film blowing and injection molding. To improve melt strength and thermal stability, two reactive chain extenders, styrene–acrylonitrile‐glycidyl methacrylate terpolymer (poly(St‐AN‐GMA)) and 4, 4′‐methylenebis(phenyl isocyanate) (MDI), were incorporated respectively into PGA using twin‐screw extrusion. MDI was found to be more effective in chain extension and enhancing thermal stability than poly(St‐AN‐GMA). The T‐5% (the temperature where the remaining weight percentage is 95%) of PGA modified with 3 wt% MDI increased to 334.5°C from 310.8°C for pure PGA. Melt flow rate for the same materials decreased from 47.2 g/10 min to 13 g/10 min. The activation energy of thermal degradations for MDI‐modified PGA was twice that of the unmodified PGA as evaluated by the Flynn‐Wall‐Ozawa method.
Design, synthesis, molecular docking, and some metabolic enzyme inhibition properties of novel quinazolinone derivatives
Authors: Tokalı Feyzi S. , Taslimi Parham , Demircioğlu İbrahim H. , Karaman Muhammet , Gültekin Mehmet S. , Şendil Kıvılcım , Gülçin İlhami 
Published: February 2021

Abstract3‐Amino‐2‐ethylquinazolin‐4(3H)‐one (3) was synthesized in two steps from the reaction of amide (2), which was obtained from the treatment of methyl anthranilate (1) with propionyl chloride, with hydrazine. From the reaction of 3‐amino‐2‐ethylquinazolin‐4(3H)‐one (3) with various aromatic aldehydes, novel benzylidenaminoquinazolin‐4(3H)‐one (3a–n) derivatives were synthesized. The structures of the novel molecules were characterized using infrared spectroscopy, nuclear magnetic resonance spectroscopy (1H‐NMR and 13C‐NMR), and high‐resolution mass spectroscopy. The novel compounds were tested against some metabolic enzymes, including α‐glucosidase (α‐Glu), acetylcholinesterase (AChE), and human carbonic anhydrases I and II (hCA I and II). The novel compounds showed Ki values in the range of 244–988 nM for hCA I, 194–900 nM for hCA II, 30–156 nM for AChE, and 215–625 nM for α‐Glu. The binding affinities of the most active compounds were calculated as −7.636, −6.972, −10.080, and −8.486 kcal/mol for hCA I, hCA II, AChE, and α‐Glu enzymes, respectively. The aromatic ring of the quinazoline moiety plays a critical role in the inhibition of the enzymes.
Tumor Necrosis Factor Inhibitors Reduce Spinal Radiographic Progression in Patients With Radiographic Axial Spondyloarthritis: A Longitudinal Analysis From the Alberta Prospective Cohort
Authors: Sepriano Alexandre , Ramiro Sofia , Wichuk Stephanie , Chiowchanwisawakit Praveena , Paschke Joel , van der Heijde Désirée , Landewé Robert , Maksymowych Walter P. 
Published: February 2021

ObjectiveTo investigate whether tumor necrosis factor inhibitors (TNFi) impact spinal radiographic progression in patients with axial spondyloarthritis (SpA) and whether this is coupled to their effect on inflammation.MethodsPatients with axial SpA fulfilling the modified New York criteria were included in a prospective cohort (the ALBERTA Follow Up Research Cohort in Ankylosing Spondylitis Treatment). Spine radiographs, performed every 2 years for up to 10 years, were scored by 2 central readers, using the modified Stoke Ankylosing Spondylitis Spine Score (mSASSS). The indirect effect of TNFi on mSASSS was evaluated with generalized estimating equations by testing the interaction between TNFi and Ankylosing Spondylitis Disease Activity Score (ASDAS) at the start of each 2‐year interval (t). If significant, the association between ASDAS at t and mSASSS at the end of the interval (t+1) was assessed in 1) patients treated with TNFi at all visits, 2) patients treated with TNFi at some visits, and 3) patients who were never treated with TNFi. In addition, the association between TNFi at t and mSASSS at t+1 (adjusting for ASDAS at t) was also tested (direct effect).ResultsIn total, 314 patients were included. A gradient was seen for the effect of ASDAS at t on mSASSS at t+1 (interaction P = 0.10), with a higher progression in patients never treated with TNFi (β = 0.41 [95% confidence interval (95% CI) 0.13, 0.68]) compared to those continuously treated (β = 0.16 [95% CI 0.00, 0.31]) (indirect effect). However, TNFi also directly slowed progression, as treated patients had on average an mSASSS 0.85 units lower at t+1 compared to untreated patients (β = −0.85 [95% CI −1.35, −0.35]).ConclusionOur findings indicate that TNFi reduce spinal radiographic progression in patients with radiographic axial SpA, which might be partially uncoupled from their effects on inflammation as measured by the ASDAS.
Tocilizumab Prevents Progression of Early Systemic Sclerosis–Associated Interstitial Lung Disease
Authors: Roofeh David , Lin Celia J. F. , Goldin Jonathan , Kim Grace Hyun , Furst Daniel E. , Denton Christopher P. , Huang Suiyuan , Khanna Dinesh ,   the focuSSced Investigators
Published: February 2021

ObjectiveTocilizumab (TCZ) has demonstrated lung function preservation in 2 randomized controlled trials in early systemic sclerosis (SSc). This effect has yet to be characterized in terms of radiographically evident quantitative lung involvement. We undertook this study to assess the impact of TCZ on lung function preservation in a post hoc analysis, stratifying treatment arms according to the degree of lung involvement.MethodsThe focuSSced trial was a phase III randomized placebo‐controlled trial of TCZ in patients with SSc and progressive skin disease. Participants underwent baseline and serial spirometry along with high‐resolution chest computed tomography at baseline and at week 48. Quantitative interstitial lung disease (QILD) and fibrosis scores were assessed by computer software. We classified QILD into the following categories of lung involvement: mild (>5–10%), moderate (>10–20%), and severe (>20%).ResultsOf 210 participants recruited for the trial, 136 patients (65%) had ILD. The majority of these patients (77%) had moderate‐to‐severe involvement (defined as >10% lung involvement). The TCZ arm demonstrated preservation of forced vital capacity percent predicted (FVC%) over 48 weeks (least squares mean change in FVC% = −0.1) compared to placebo (−6.3%). For mild, moderate, and severe QILD, the mean ± SD change in FVC% in the TCZ arm at 48 weeks were −4.1 ± 2.5% (n = 11), 0.7 ± 1.9% (n =19), and 2.1 ± 1.6% (n = 26), respectively, and in the placebo group were −10.0 ± 2.6% (n = 11), −5.7 ± 1.6% (n = 26), and −6.7 ± 2.0% (n = 16), respectively. Similar treatment‐related preservation findings were seen independent of fibrosis severity.ConclusionTCZ in early SSc–associated ILD with progressive skin disease stabilized FVC% over 48 weeks, independent of the extent of radiographically evident QILD.
Long‐Term Outcomes in Patients With Connective Tissue Disease–Associated Pulmonary Arterial Hypertension in the Modern Treatment Era: Meta‐Analyses of Randomized, Controlled Trials and Observational Registries
Authors: Khanna Dinesh , Zhao Carol , Saggar Rajan , Mathai Stephen C. , Chung Lorinda , Coghlan J. Gerry , Shah Mehul , Hartney John , McLaughlin Vallerie 
Published: February 2021

ObjectiveData on the magnitude of benefit of modern therapies for pulmonary arterial hypertension (PAH) in connective tissue disease (CTD)–associated PAH are limited. In this study, we performed meta‐analyses of randomized, controlled trials (RCTs) and registries to quantify the benefit of these modern therapies in patients with CTD‐PAH.MethodsThe PubMed and Embase databases were searched for articles reporting data from RCTs or registries published between January 1, 2000 and November 25, 2019. Eligibility criteria included multicenter studies with ≥30 CTD‐PAH patients. For an RCT to be included, the trial had to evaluate an approved PAH therapy, and long‐term risks of clinical morbidity and mortality or 6‐minute walk distance had to be reported. For a registry to be included, survival rates had to be reported. Random‐effects models were used to pool the data.ResultsEleven RCTs (total of 4,329 patients; 1,267 with CTD‐PAH) and 19 registries (total of 9,739 patients; 4,008 with CTD‐PAH) were included. Investigational therapy resulted in a 36% reduction in the risk of clinical morbidity/mortality events both in the overall PAH population (hazard ratio [HR] 0.64, 95% confidence interval [95% CI] 0.54, 0.75; P < 0.001) and in CTD‐PAH patients (HR 0.64, 95% CI 0.51, 0.81; P < 0.001) as compared to control subjects. The survival rate was lower in CTD‐PAH patients compared to all PAH patients (survival rate 62%, 95% CI 57, 67% versus 72%, 95% CI 69, 75% at 3 years). The survival rate in CTD‐PAH patients treated primarily after 2010 was higher than that in CTD‐PAH patients treated before 2010 (survival rate 73%, 95% CI 62, 81% versus 65%, 95% CI 59, 71% at 3 years).ConclusionModern therapy provides a similar reduction in morbidity/mortality risk in patients with CTD‐PAH when compared to the PAH population overall. Risk of death is higher in CTD‐PAH patients than in those with PAH overall, but survival has improved in the last 10 years, which may be related to increased screening and/or new treatment approaches. Early detection of PAH in patients with CTD and up‐front intensive treatment are warranted.