bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Redox‐Active Heterobimetallic N‐Heterocyclic Carbene Based on a Bis(imino)pyrazine Ligand Scaffold
Authors: Regenauer Nicolas I. , Jänner Sven , Wadepohl Hubert , Roşca Dragoş‐Adrian 
Published: July 2020

AbstractA new redox‐active N‐heterocyclic carbene (NHC) architecture is obtained using N‐methylated pyrazinediimine iron complexes as precursors. The new species exhibit strong π‐accepting/σ‐donating properties and are able to ligate two metal centres simultaneously. The redox activity was demonstrated by the reversible chemical oxidation of a heterobimetallic Fe0/RhI example, which affords an isolable ligand‐based radical cation. The reversible redox process was then applied in the catalytic hydrosilylation of 4,4′‐difluorobenzophenone, where the reaction rate could be reversibly controlled as a function of the catalyst oxidation state. The new NHC exhibits high electrophilicity and nucleophilicity, which was demonstrated in the reversible activation of alcohols and amines. The electronic structure of the resulting complexes was investigated through various spectroscopic and computational methods.
Electromagnetic Nanomedicines for Combinational Cancer Immunotherapy
Authors: Li Jingchao , Luo Yu , Pu Kanyi 
Published: July 2020

AbstractImmunotherapy that harnesses the power of the immune system to eliminate malignant cells has offered an effective approach for cancer treatment. However, limited patient response rates and potential immune‐related adverse events exist as two major issues for cancer immunotherapy. In parallel, a variety of electromagnetic nanomaterials that generate heat and/or reactive oxygen species triggered by electromagnetic energy have been applied for magnetic hyperthermia therapy, sonodynamic therapy, photothermal therapy, photodynamic therapy, and radiotherapy, which have the ability to induce immunogenic cell death. This review summarizes the recent development of electromagnetic nanomedicines in combinational cancer immunotherapy. The mechanisms of electromagnetic nanomedicines in reprogramming the immunosuppressive tumor microenvironment and sensitizing tumors for cancer immunotherapy are highlighted. Furthermore, potential challenges and perspectives of electromagnetic nanomedicines for combinational cancer immunotherapy are discussed.
Understanding the metabolic perturbations in Carica papaya Linn. due to different ripening practices/agents using gas chromatography‐mass spectrometry based metabolomics
Authors: Ganneru Sireesha , Shaik Hussain , Peddi Kiranmayi , Mudiam Mohana Krishna Reddy 
Published: July 2020

AbstractThe study of fruit‐ripening mechanism is vital as it plays a key role in the maintenance of fruit quality. Use of various xenobiotics for quick ripening has been shown to impact the quality of fruit, which in turn affect human health. In the present study, we made an attempt to understand the metabolic perturbations in Carica papaya Linn. (papaya), which has been ripened either by the ripening practice (room temperature process as control) and/or ripening agents (calcium carbide and ethylene) using gas chromatography‐mass spectrometry (GC‐MS) based metabolomics. The partial least squares‐discriminant analysis has revealed significant alternations in 13 metabolites mainly sugars, amino acids, fatty acids, and organic acids as well as disturbances in five metabolic pathways due to different ripening practice/agents. The individual comparison of calcium carbide with control and ethylene with control has found 13 and 11 metabolites, respectively, which are common to the PLS‐DA of three ripening groups. The GC‐MS–based metabolomics has been able to predict the metabolic perturbations in papaya resulting from the ripening practice/agents. The findings from the present analysis has a wide application in food quality and will help to address safety concerns.
Halotolerance mechanisms of the methanotroph Methylomicrobium alcaliphilum
Authors: Bordel Sergio , Pérez Rebeca , Rodríguez Elisa , Cantera Sara , Fernández‐González Nuria , Martínez María A. , Muñoz Raúl 
Published: July 2020

AbstractMethylomicrobium alcaliphilum is an alkaliphilic and halotolerant methanotroph. The physiological responses of M. alcaliphilum to high NaCl concentrations, were studied using RNA sequencing and metabolic modeling. This study revealed that M. alcaliphilum possesses an unusual respiratory chain, in which complex I is replaced by a Na+ extruding NQR complex (highly upregulated under high salinity conditions) and a Na+ driven adenosine triphosphate (ATP) synthase coexists with a conventional H+ driven ATP synthase. A thermodynamic and metabolic model showing the interplay between these different components is presented. Ectoine is the main osmoprotector used by the cells. Ectoine synthesis is activated by the transcription of an ect operon that contains five genes, including the ectoine hydroxylase coding ectD gene. Enzymatic tests revealed that the product of ectD does not have catalytic activity. A new Genome Scale Metabolic Model for M. alcaliphilum revealed a higher flux in the oxidative branch of the pentose phosphate pathway leading to NADPH production and contributing to resistance to oxidative stress.
Change in emotional eating after bariatric surgery: systematic review and meta-analysis
Authors: Wong L Y , Zafari N , Churilov L , Stammers L , Price S , Ekinci E I , Sumithran P 
Published: July 2020

Abstract

Background
The effect of bariatric surgery on ‘emotional eating’ (EE) in people with obesity is unclear. This systematic review and meta-analysis aimed to examine changes in self-reported emotional eating behaviour after bariatric surgery.

Methods
Fifteen electronic databases were searched from inception to August 2019. Included studies encompassed patients undergoing primary bariatric surgery, quantitatively assessed EE, and reported EE scores before and after surgery in the same participants. Studies were excluded if they were not in English or available in full text. The systematic review and meta-analysis were conducted according to the PRISMA guidelines. Random-effects models were used for quantitative analysis. Study quality was assessed using the National Heart, Lung, and Blood Institute quality assessment tool for before–after (pre–post) studies with no control group.

Results
Some 23 studies containing 6749 participants were included in the qualitative synthesis, with follow-up of from 2 weeks to 48 months. EE scores decreased to 12 months after surgery. Results were mixed beyond 12 months. Quantitative synthesis of 17 studies (2811 participants) found that EE scores decreased by a standardized mean difference of 1·09 (95 per cent c.i. 0·76 to 1·42) 4–18 months after surgery, indicating a large effect size.

Conclusion
Bariatric surgery may mitigate the tendency to eat in response to emotions in the short to medium term.
A retrospective study on risk assessment and management of forensic psychiatric inpatients in Hong Kong
Authors: Siu Bonnie W.M. , So Jane W.L. , Yuen K.K. , Chan Anita W.L. , Chan Clement , Lai Eric S.K. , Leung H.W. , Lam M. 
Published: July 2020

AbstractThe Department of Forensic Psychiatry of Castle Peak Hospital is the only facility in Hong Kong that provides territory‐wide forensic psychiatric services for patients with criminal involvement. This retrospective study aimed to explore whether the rehabilitation programs provided by the department could significantly reduce the risks of forensic psychiatric inpatients as measured by the Short‐Term Assessment of Risk and Treatability (START). START ratings of inpatients who were hospitalized in the department for more than 3 months and were discharged to the community during the period from 11 April 2015 to 31 March 2019 were analyzed. A total of 79 patients were assessed, of whom 61 (77.2%) were males. Fifty‐four (68.4%) patients suffered from schizophrenia. START scores upon admission (strength score = 5.67; vulnerability score = 17.43) and upon discharge (strength score = 6.87, vulnerability score = 11.18) indicated significant reduction of risks among inpatients (p< 0.05).
Enzymatic Construction of Artificial Base Pairs: The Effect of Metal Shielding
Authors: Flamme Marie , Levi‐Acobas Fabienne , Hensel Susanne , Naskar Shuvankar , Röthlisberger Pascal , Sarac Ivo , Gasser Gilles , Müller Jens , Hollenstein Marcel 
Published: July 2020

AbstractTh formation of metal base pairs is a versatile method for the introduction of metal cations into nucleic acids that has been used in numerous applications including the construction of metal nanowires, development of energy, charge‐transfer devices and expansion of the genetic alphabet. As an alternative, enzymatic construction of metal base pairs is an alluring strategy that grants access to longer sequences and offers the possibility of using such unnatural base pairs (UBPs) in SELEX experiments for the identification of functional nucleic acids. This method remains rather underexplored, and a better understanding of the key parameters in the design of efficient nucleotides is required. We have investigated the effect of methylation of the imidazole nucleoside (dImnMeTP) on the efficiency of the enzymatic construction of metal base pairs. The presence of methyl substituents on dImTP facilitates the polymerase‐driven formation of dIm4Me−AgI−dIm and dIm2MeTP−CrIII−dIm base pairs. Steric factors rather than the basicity of the imidazole nucleobase appear to govern the enzymatic formation of such metal base pairs. We also demonstrate the compatibility of other metal cations rarely considered in the construction of artificial metal bases by enzymatic DNA synthesis under both primer extension reaction and PCR conditions. These findings open up new directions for the design of nucleotide analogues for the development of metal base pairs.
PAX3 silencing inhibits prostate cancer progression through the suppression of the TGF‐β/Smad signaling axis
Authors: Zeng Ke , Xie Wenxian , Huang Jun , Yang Jian , Deng Kefei , Luo Xiaohui 
Published: July 2020

AbstractMultiple studies have confirmed the pro‐oncogenic effects of PAX3 in an array of cancers, but its role in prostate cancer (PCa) remains largely undefined. The aim of this study is to investigate the role of PAX3 in PCa. PAX3 expression was compared between PCa tumor tissue and nontumor tissues and PCa cell lines and normal prostate epithelial cells (PNT2) by western blot analysis and immunohistochemistry staining. MTT and immunofluorescence assays were used to detect PCa cell proliferation. Flow cytometry was used to evaluate cell apoptosis in PCa. Transwell assays were used for the determination of cell migration and PCa cell invasion. PAX3 expression was higher in PCa tissues and human PCa cell lines. Moreover, PAX3 silencing inhibited the proliferation, metastasis, and epithelial–mesenchymal transition (EMT) of PCa cells, and increased the rates of apoptosis. PAX3 silencing inhibited transforming growth factor‐β (TGF‐β)/Smad signaling in PCa cells. The effects of si‐PAX3 on the proliferation, apoptosis, metastasis, and EMT of PCa cells were alleviated by TGF‐β1 treatment. PAX3 silencing inhibits PCa progression through the inhibition of TGF‐β/Smad signaling. This reveals PAX3 as a novel biomarker and therapeutic target for future PCa treatments.
The appearance of a single left atrial tachycardia as two different types on preoperative surface and intracardiac ECG of pacemaker due to progressive cardiac conduction disturbance
Authors: Sakamoto Yusuke , Osanai Hiroyuki , Uno Hiroto , Kurokawa Hideki , Kondo Shun , Tokuda Kotaro , Kanbara Takahiro , Nakashima Yoshihito , Asano Hiroshi , Ajioka Masayoshi 
Published: July 2020

AbstractWe treated a patient with PCCD whose single left AT appeared as two different types on preoperative surface and intracardiac ECG from a pacemaker. The diagnosis was hindered by the fact that the conduction block encompassed interatrial block and the pacemaker A‐wave was captured at the right atrial appendage.
The rare green‐blue neutrophil inclusion bodies. Worth reporting in blood films? A case of a patient with polytrauma
Authors: Bowen Rebecca Katrina , Koutsavlis Ioannis 
Published: July 2020

AbstractBlood films are an easy tool to aid the diagnosis and management of unwell patients and should be prepared in this setting. Green‐blue neutrophil inclusion bodies could be an ominous sign of poor prognosis in critically ill patients.
Surge of Miller Fisher variant and Guillain‐Barré syndrome in two downtown Los Angeles community teaching hospitals
Authors: Yang Michael C. , Liu Antonio 
Published: July 2020

AbstractGuillain‐Barré syndrome (GBS) and Miller Fisher variant (MFv) cases spiked threefold in Los Angeles, with a high proportion of MFv cases. MFv is underdiagnosed when accompanying neurological symptoms are mild. This report emphasizes the seasonality of GBS and its relation to ganglioside antibodies.
Anaphylaxis following prick‐by‐prick testing with peanut
Authors: Alnæs Marie 
Published: July 2020

AbstractAnaphylaxis due to prick‐by‐prick testing is a rare but potentially life‐threatening complication. Personnel performing testing should be able to recognize and treat anaphylaxis. Adrenaline must be available. In high‐risk patients with a history of anaphylaxis, specific igE with components and a basophile activation test is desirable before skin prick testing.
Conservation soybean production systems in the mid‐southern USA: I. Transitioning from conventional to conservation tillage
Authors: Bryant C.J. , Krutz L.J. , Reynolds D.B. , Locke M.A. , Golden B.R. , Irby T. , Steinriede R.W. , Spencer G.D. , Mills B.E. , Wood C.W. 
Published: July 2020

AbstractThe adoption of production systems that leave greater than 30% residue coverage on the soil surface, that is, conservation tillage, is limited in the mid‐southern United States due to the development of a hardpan and subsequent yield reductions. This research was conducted to determine if the inclusion of subsoiling in conservation tillage systems can maintain yield and profitability relative to that of conventional tillage. The effects of surface and subsurface tillage on soybean [Glycine max (L.) Merr.] grain yield, net returns above specified costs, and water use efficiency (WUE) were investigated near Stoneville, MS on a Dubbs silt loam (Fine‐silty, mixed, active, thermic Typic Hapludalfs). Conservation tillage with subsoiling maintained or improved soybean grain yield, net returns above specified costs, and WUE up to 68% in three of four years. Conversely, conservation tillage alone either had no effect or decreased soybean grain yield up to 14%, decreased net returns above specified costs up to 20%, and decreased WUE up to 14%. Our data indicate that inclusion of subsoiling minimizes yield and net return declines commonly associated with conservation tillage systems and should be a component of the early soybean production system on medium‐ to coarse‐textured soils.
New Photosensitizers Based on Heteroleptic CuI Complexes and CO2 Photocatalytic Reduction with [NiII(cyclam)]Cl2
Authors: Gracia Lisa‐Lou , Luci Luisa , Bruschi Cecilia , Sambri Letizia , Weis Patrick , Fuhr Olaf , Bizzarri Claudia 
Published: July 2020

AbstractEarth‐abundant metal complexes have been attracting increasing attention in the field of photo(redox)catalysis. In this work, the synthesis and full characterisation of four new heteroleptic CuI complexes are reported, which can work as photosensitizers. The complexes bear a bulky diphosphine (DPEPhos=bis[(2‐diphenylphosphino)phenyl] ether) and a diimine chelating ligand based on 1‐benzyl‐4‐(quinol‐2′yl)‐1,2,3‐triazole. Their absorption has a relative maximum in the visible‐light region, up to 450 nm. Thus, their use in photocatalytic systems for the reduction of CO2 with blue light in combination with the known catalyst [NiII(cyclam)]Cl2 was tested. This system produced CO as the main product through visible light (λ=420 nm) with a TON up to 8 after 4 hours. This value is in line with other photocatalytic systems using the same catalyst. Nevertheless, this system is entirely noble‐metal free.
Quantitative and Chemically Intuitive Evaluation of the Nature of M−L Bonds in Paramagnetic Compounds: Application of EDA‐NOCV Theory to Spin Crossover Complexes
Authors: Bondì Luca , Garden Anna L. , Jerabek Paul , Totti Federico , Brooker Sally 
Published: July 2020

AbstractTo improve understanding of M−L bonds in 3d transition metal complexes, analysis by energy decomposition analysis and natural orbital for chemical valence model (EDA‐NOCV) is desirable as it provides a full, quantitative and chemically intuitive ab initio description of the M−L interactions. In this study, a generally applicable fragmentation and computational protocol was established and validated by using octahedral spin crossover (SCO) complexes, as the transition temperature (T1/2) is sensitive to subtle changes in M−L bonding. Specifically, EDA‐NOCV analysis of Fe−N bonds in five [FeII(Lazine)2(NCBH3)2], in both low‐spin (LS) and paramagnetic high‐spin (HS) states led to: 1) development of a general, widely applicable, corrected M+L6 fragmentation, tested against a family of five LS [FeII(Lazine)3](BF4)2 complexes; this confirmed that three Lazine are stronger ligands (ΔEorb,σ+π=−370 kcal mol−1) than 2 Lazine+2 NCBH3 (=−335 kcal mol−1), as observed. 2) Analysis of Fe−L bonding on LS→HS, reveals more ionic (ΔEelstat) and less covalent (ΔEorb) character (ΔEelstat:ΔEorb 55:45 LS→64:36 HS), mostly due to a big drop in σ (ΔEorb,σ ↓50 %; −310→−145 kcal mol−1), and a drop in π contributions (ΔEorb,π ↓90 %; −30→−3 kcal mol−1). 3) Strong correlation of observed T1/2 and ΔEorb,σ+π, for both LS and HS families (R2=0.99 LS, R2=0.95 HS), but no correlation of T1/2 and ΔΔEorb,σ+π(LS‐HS) (R2=0.11). Overall, this study has established and validated an EDA‐NOCV protocol for M−L bonding analysis of any diamagnetic or paramagnetic, homoleptic or heteroleptic, octahedral transition metal complex. This new and widely applicable EDA‐NOCV protocol holds great promise as a predictive tool.
DNA Alkylation of the RUNX‐Binding Sequence by CBI–PI Polyamide Conjugates**
Authors: Maeda Rina , Ito Shinji , Hashiya Kaori , Bando Toshikazu , Sugiyama Hiroshi 
Published: July 2020

AbstractMany types of molecular targeted drugs that inhibit cancer growth by acting on specific molecules have been developed. The runt‐related transcription factor (RUNX) family, which induces cancer development by binding to a specific DNA sequence, has attracted attention as a new target for cancer treatment. We have developed Chb‐M′, which targets the RUNX‐binding sequence. Chb‐M′ was developed by conjugating pyrrole‐imidazole (PI) polyamides and chlorambucil as an anticancer agent. It was recently reported that Chb‐M′ had a remarkable anticancer effect in vivo. In this study, to explore the possibility of an alternative structure, we designed a new series of CBI–PI polyamides, in which seco‐CBI was applied as a DNA‐alkylating agent. We examined the characteristics of the CBI–PI polyamides targeting the RUNX‐binding sequence and found that these conjugates have great potential for cancer treatment.
New Supercage Metal–Organic Framework Based on Allopurinol Ligands Showing Acetylene Storage and Separation
Authors: Li Yong‐Zhi , Wang Gang‐Ding , Yang Hong‐Yun , Hou Lei , Wang Yao‐Yu , Zhu Zhonghua 
Published: July 2020

AbstractTo develop efficient adsorbent materials for storage and separation of C2H2, an unprecedented supercage MOF, [Me2NH2]⋅[Zn3(ALP)(TDC)2.5]⋅3.5DMF⋅2 H2O (1) was constructed through medicinal molecule allopurinol (ALP) and S‐containing 2,5‐thiophenedicarboxylic acid (H2TDC).1contains a novel linear trinuclear cluster that is composed by ALP and carboxylates and forms a final uncommon 5‐connectedyfytopological framework. The framework possesses three types of interlinked cages decorated by rich functional sites, and reveals not only high adsorption capacity for C2H2but also excellent selective separation for C2H2/CO2and C2H2/CH4at 298 K. Dynamic breakthrough experiments on C2H2/CO2(1:1) mixture and C2H2/CH4(1:1) mixture also demonstrated the potential of the material to separate C2H2from CO2or CH4mixtures. Molecular simulations were also studied to identify the different CO2‐ and C2H2‐ binding sites in1, such as carboxylate groups, S atoms and carbonyl groups.
Selective Hydrolysis of Terminal Glycosidic Bond in α‐1‐Acid Glycoprotein Promoted by Keggin and Wells–Dawson Type Heteropolyacids
Authors: Van Rompuy Laura S. , Moons Jens , Aelbers Jo , Struyf Tom , Van den Ende Wim , Parac‐Vogt Tatjana N. 
Published: July 2020

AbstractThe reactivity of a range of Keggin and Wells–Dawson type heteropolyacids (HPAs): H3PW12O40 H4SiW12O40, H3PMo12O40, K6P2W18O62, and NaH2W12O4, towards the heavily glycosylated α‐1‐acid glycoprotein (AGP) is reported. Sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS‐PAGE) and high‐performance anion exchange chromatography with pulsed amperometric detection (HPAEC‐PAD) show that after incubation of the protein with HPAs at 80 °C and pH 2.8 complete hydrolysis of terminal glycosidic bond has been achieved, resulting in the removal of sialic acids with no observed destruction of the protein core or the residual glycan chains. The 1H NMR spectroscopy confirmed that the released sialic acids preserve intact structure upon their excision from the protein, which makes the reported method suitable for the analysis of sialic acid modifications which play an important role in numerous biological processes. The presence of other sugars was not detected by 1H NMR and HPAEC‐PAD, suggesting that HPAs hydrolyze only the terminal glycosidic bond in the glycoprotein, resulting in the selective release of sialic acid from AGP. The kinetic results have shown that under equal temperature and pH conditions, the hydrolysis of the terminal glucosidic bond occurred faster in the presence of HPAs compared to conventional mineral acids. The observed rate constants were in the range 6,7×10−2 −11,9×10−2 min−1 and the complete and selective excision of sialic acids could be achieved within 60 min of incubation. The Trp fluorescence and CD spectroscopy show that non‐covalent interaction between HPA and protein takes place in solution which could lead to stabilization of the sialosyl cation that is formed during the glycosidic bond hydrolysis by anionic HPA cluster.
Geometrical Evolution and Formation of the Photoproduct in the Cycloreversion Reaction of a Diarylethene Derivative Probed by Vibrational Spectroscopy
Authors: Sotome Hikaru , Okajima Hajime , Nagasaka Tatsuhiro , Tachii Yuka , Sakamoto Akira , Kobatake Seiya , Irie Masahiro , Miyasaka Hiroshi 
Published: July 2020

AbstractThe front cover artwork is provided by the groups of Prof. Hiroshi Miyasaka (Osaka University, Japan), Prof. Masahiro Irie (Rikkyo University, Japan), Prof. Seiya Kobatake (Osaka City University, Japan) and Prof. Akira Sakamoto (Aoyama Gakuin University, Japan). The image shows the coherently vibrating closed form of a photochromic diarylethene derivative in the excited state, and subsequent structural evolution into the open form in the cycloreversion reaction. Read the full text of the Article at 10.1002/cphc.202000315.