bluuebunny/crossref_metadata_2025_split huggingface dataset:
Encapsulation and delivery of protein from within poly(sulfobetaine) hydrogel beads
Authors: Erfani Amir , Flynn Nicholas H. , Aichele Clint P. , Ramsey Joshua D. 
Published: June 2020

AbstractAdvancement of therapeutic protein therapies can be hindered by their poor stability and short in vivo half‐life. There is emerging evidence that biocompatible zwitterionic materials can prevent nonspecific interactions within proteins systems that contribute to protein instability. Here, zwitterionic hydrogel beads are synthesized from poly(sulfobetaine methyl methacrylate), pSB, using an inverse emulsion, free radical polymerization reaction technique. The transport properties within the zwitterionic hydrogels were characterized using 1H NMR diffusometry. Equilibrium water content as high as 0.90 was measured for the synthesized hydrogels. Our study revealed that the pSB hydrogels are nontoxic, ion responsive, and their swelling is temperature dependent. The zwitterionic hydrogel beads were capable of undergoing lyophilization without aggregation. Hydrogel beads were loaded with a model protein, bovine serum albumin (BSA), using a postfabrication loading technique. The protein loading was studied using confocal laser microscopy, indicating homogenous protein dispersion of up to 40 μg BSA/mg hydrogel within the beads. Furthermore, the release rate of the protein from the synthesized hydrogel was studied at different crosslinker to monomer ratios. The protein encapsulated within the zwitterionic hydrogel had slower rates of thermal aggregation compared to nonencapsulated protein in solution. Furthermore, the protein‐loaded inside the zwitterionic hydrogel better maintained its bioactivity.
Exploration of dual fatty acid amide hydrolase and cholinesterase inhibitory potential of some 3‐hydroxy‐3‐phenacyloxindole analogs
Authors: Tripathi Rati K. P. , Ayyannan Senthil R. 
Published: June 2020

AbstractThe dual inhibition of fatty acid amide hydrolase (FAAH) and cholinesterases (ChEs) has recently egressed as a novel strategy for the management of neurodegeneration. In the present work, a library of 3‐hydroxy‐3‐phenacyloxindole analogs was screened for FAAH and ChEs (acetylcholinesterase [AChE]/butyrylcholinesterase [BuChE]) inhibition. 1‐Benzyl‐3‐hydroxy‐3‐(2′,4′‐dibromophenacyl)oxindole (16), the most promising compound, showed a balanced multifunctional profile with FAAH (IC50 = 8.7 ± 0.3 nM, competitive and reversible), AChE (IC50 = 28 ± 3 nM, mixed and reversible), and BuChE (IC50 = 65 ± 8 nM, mixed and reversible) inhibition. The structure–activity relationship study predicted multifarious fundamental aspects crucial for the potency of these analogs. Furthermore, the structural geometry and rigidness bestowed by the oxindole moiety resulted in improved adherence of the compounds within the binding pockets of the target enzymes. Molecular docking studies of the docked conformations acknowledged numerous interactions for trenchant stabilization of inhibitor–enzyme complexes. Binding interaction and conformational alignment studies of stereoisomers of the lead inhibitors highlighted the importance of the (S)‐stereochemistry at C‐3 of the oxindole scaffold for potency and selectivity. Compound 16 also displayed an antioxidant potential surpassing that of ascorbic acid, and it was non‐neurotoxic. In silico molecular and ADMET properties anticipated druglikeness of the test compounds for oral use. Thus, compound 16 emerged as a new and interesting multifaceted candidate that could further be explored for its potential multitargeted role in the discovery of drugs for the treatment of Alzheimer's disease.
An insight on the restricted problem of 2 + 2 bodies with straight segment
Authors: Kumar Dinesh , Aggarwal Rajiv , Kaur Bhavneet 
Published: June 2020

AbstractIn the present paper, an effort to generalize the restricted problem of 2 + 2 bodies has been made by considering the primary bodies m1 and m2 to be a point mass and straight segment of length 2l, respectively. The motion of the two infinitesimal bodies mi, i = 3, 4 has been investigated, in which each mi, i = 3, 4 is moving in the gravitational field of mj, j = 1, 2, 3, 4 with i ≠ j. For the present problem, 14 equilibrium points are obtained, of which 6 are collinear and the rest are noncollinear. The length parameter l has a subsequent effect on the location of all the equilibrium points. Systematic stability analysis has been carried out by using the theory of perturbation. All the equilibrium points are found to be unstable.
On the donor substrate dependence of group‐transfer reactions by hydrolytic enzymes: Insight from kinetic analysis of sucrose phosphorylase‐catalyzed transglycosylation
Authors: Klimacek Mario , Sigg Alexander , Nidetzky Bernd 
Published: June 2020

AbstractChemical group‐transfer reactions by hydrolytic enzymes have considerable importance in biocatalytic synthesis and are exploited broadly in commercial‐scale chemical production. Mechanistically, these reactions have in common the involvement of a covalent enzyme intermediate which is formed upon enzyme reaction with the donor substrate and is subsequently intercepted by a suitable acceptor. Here, we studied the glycosylation of glycerol from sucrose by sucrose phosphorylase (SucP) to clarify a peculiar, yet generally important characteristic of this reaction: partitioning between glycosylation of glycerol and hydrolysis depends on the type and the concentration of the donor substrate used (here: sucrose, α‐d‐glucose 1‐phosphate (G1P)). We develop a kinetic framework to analyze the effect and provide evidence that, when G1P is used as donor substrate, hydrolysis occurs not only from the β‐glucosyl‐enzyme intermediate (E‐Glc), but additionally from a noncovalent complex of E‐Glc and substrate which unlike E‐Glc is unreactive to glycerol. Depending on the relative rates of hydrolysis of free and substrate‐bound E‐Glc, inhibition (Leuconostoc mesenteroides SucP) or apparent activation (Bifidobacterium adolescentis SucP) is observed at high donor substrate concentration. At a G1P concentration that excludes the substrate‐bound E‐Glc, the transfer/hydrolysis ratio changes to a value consistent with reaction exclusively through E‐Glc, independent of the donor substrate used. Collectively, these results give explanation for a kinetic behavior of SucP not previously accounted for, provide essential basis for design and optimization of the synthetic reaction, and establish a theoretical framework for the analysis of kinetically analogous group‐transfer reactions by hydrolytic enzymes.
Moving from the bench towards a large scale, industrial platform process for adeno‐associated viral vector purification
Authors: Adams Benjamin , Bak Hanne , Tustian Andrew D. 
Published: June 2020

AbstractIn recent years, there has been a strong interest in the development and production of gene therapy products, especially those utilizing adeno‐associated virus (AAV) particles. This is evident with the growing number of clinical successes and agency approvals for AAV therapeutics. Due to this increased investment in this technology, a need exists for scalable commercial production methods to ensure adequate product supply as research in AAV shifts from bench‐scale development to clinical production. The purpose of this review is to summarize current scalable purification techniques that can be employed during the commercial manufacturing of AAV as well as highlight certain development considerations, such as adventitious agent removal and process development using the principals of quality by design.
Comparison of the Peritoneal Cancer Index and Dutch region count as tools to stage patients with peritoneal metastases of colorectal cancer
Authors: Verheij F S , Bakkers C , Eden W J , Aalbers A G J , Nienhuijs S W , Jóźwiak K , Hingh I H J T , Kok N F M 
Published: June 2020

Abstract

Background
Extent of peritoneal metastases (PM) is among the most powerful prognostic factors for survival after cytoreductive surgery (CRS). This study aimed to compare the Peritoneal Cancer Index (PCI) and the Dutch region count as tools for staging PM of colorectal cancer. The Dutch region count is a simpler classification that distinguishes seven rather than 13 abdominal regions. Presence or absence of PM is recorded.

Methods
This was a retrospective cohort study in two tertiary referral centres in the Netherlands. Consecutive patients with colorectal PM who were intentionally treated with CRS and subsequent hyperthermic intraperitoneal chemotherapy in 2016 and 2017 were included. The PCI and Dutch region count were both recorded during laparotomy. Correlation between scoring tools was calculated using Spearman's rank correlation coefficient. Diagnostic values were calculated for different cut-off values of the PCI, alongside the Dutch region count. The correlation of both scores was determined for the exploration and validation cohorts separately.

Results
In the exploration and validation cohorts, 73 and 85 patients respectively were included. Spearman's correlation coefficients of 0·897 and 0·961 were observed for continuous scores of the Dutch region count and PCI in the exploration and validation group respectively. A cut-off value of 20 for the PCI score and 5 for the Dutch region count showed 91·9 and 94·5 per cent sensitivity, and 81·8 and 91·7 per cent specificity, respectively.

Conclusion
The Dutch region count correlated well with the PCI score, and may help to simplify reporting of the extent of peritoneal disease.
Impact of oral preoperative and perioperative immunonutrition on postoperative infection and mortality in patients undergoing cancer surgery: systematic review and meta-analysis with trial sequential analysis
Authors: Buzquurz F , Bojesen R D , Grube C , Madsen M T , Gögenur I 
Published: June 2020

Abstract

Background
Infectious complications occur in 4–22 per cent of patients undergoing surgical resection of malignant solid tumours. Improving the patient's immune system in relation to oncological surgery with immunonutrition may play an important role in reducing postoperative infections. A meta-analysis was undertaken to evaluate the potential clinical benefits of immunonutrition on postoperative infections and 30-day mortality in patients undergoing oncological surgery.

Methods
PubMed, Embase and Cochrane Library databases were searched to identify eligible studies.
Eligible studies had to include patients undergoing elective curative surgery for a solid malignant tumour and receiving immunonutrition orally before surgery, including patients who continued immunonutrition into the postoperative period. The main outcome was overall infectious complications; secondary outcomes were surgical-site infection (SSI) and 30-day mortality, described by relative risk (RR) with trial sequential analysis (TSA). Risk of bias was assessed according to Cochrane methodology.

Results
Some 22 RCTs with 2159 participants were eligible for meta-analysis. Compared with the control group, immunonutrition reduced overall infectious complications (RR 0·58, 95 per cent c.i. 0·48 to 0·70; I2 = 7 per cent; TSA-adjusted 95 per cent c.i. 0·28 to 1·21) and SSI (RR 0·65, 95 per cent c.i. 0·50 to 0·85; I2 = 0 per cent; TSA-adjusted 95 per cent c.i. 0·21 to 2·04). Thirty-day mortality was not altered by immunonutrition (RR 0·69, 0·33 to 1·40; I2 = 0 per cent).

Conclusion
Immunonutrition reduced overall infectious complications, even after controlling for random error, and also reduced SSI. The quality of evidence was moderate, and mortality was not affected by immunonutrition (low quality). Oral immunonutrition merits consideration as a means of reducing overall infectious complications after cancer surgery.
Racial and ethnic disparities in mortality from gastric and esophageal adenocarcinoma
Authors: Laszkowska Monika , Tramontano Angela C. , Kim Judith , Camargo M. Constanza , Neugut Alfred I. , Abrams Julian A. , Hur Chin 
Published: June 2020

AbstractBackgroundRacial/ethnic differences in mortality have not been well studied for either non‐cardia gastric cancer (NCGC) or cardia gastric cancer (CGC). The aim of this study was to examine the US mortality rates for these cancer subtypes, as well as esophageal adenocarcinoma (EAC) as a comparator.MethodsWe identified 14 164 individuals who died from NCGC, 5235 from CGC, and 13 982 from EAC in the Surveillance, Epidemiology, and End Results database between 2004 and 2016. Age‐adjusted incidence‐based mortality rates and corresponding annual percent changes (APCs) were calculated. Analyses were stratified by race/ethnicity, age, and stage of disease at diagnosis.ResultsThe mortality rate in NCGC was two‐ to threefold higher in blacks, Hispanics, and Asians/Pacific Islanders (PI) than non‐Hispanic whites, and was significant across all age groups and stages of disease (P < .01). Mortality in CGC was higher in non‐Hispanic whites than blacks and Asians/PI, particularly in individuals in the 50‐64 year age group and those with stage IV disease. Mortality in EAC was two‐ to sixfold higher in non‐Hispanic whites than all other groups across all age groups and stages of disease. From 2004 to 2016, mortality rates were stable across all racial/ethnic groups in NCGC and CGC, and in minority groups with EAC, but have been rising in non‐Hispanic whites with EAC (APC 3.03, 95% CI 0.17‐5.96).ConclusionsThis is the largest study of incidence‐based mortality in CGC and NCGC and demonstrates racial/ethnic differences in mortality between these subtypes. Mortality rates for NCGC are highest in minority groups, and have been stable in recent years despite declining incidence. Mortality rates for CGC are marginally higher in middle‐aged non‐Hispanic whites with advanced disease, though have remained stable. In contrast, mortality in EAC has been rising for non‐Hispanic whites, in parallel to incidence. Further studies are needed to refine prevention strategies for high‐risk individuals dying from these specific cancer subtypes.
Electrochemically Assisted Growth of CsPbBr3‐Based Solar Cells Without Selective Contacts
Authors: Ramírez Daniel , Riveros Gonzalo , Díaz Patricia , Verdugo Javier , Núñez Gerard , Lizama Susy , Lazo Pamela , Dalchiele Enrique A. , Gau Daniel L. , Marotti Ricardo E. , Anta Juan A. , Contreras‐Bernal Lidia , Riquelme Antonio , Idigoras Jesús 
Published: June 2020

AbstractIn this work we report a simple and cost‐effective CsPbBr3‐based solar cell without ordinary selective contacts. To do so we follow an electrochemical approach consisting of three successive steps: (1) electrodeposition of PbO2 directly on top of FTO substrates, (2) heterogeneous phase reaction with gaseous HBr and (3) spin‐coating of methanolic CsBr solutions followed by annealing. This method is more adequate for large‐scale environmentally friendly production as it reduces chemical waste, particularly toxic lead. The resulting films were structurally and optically characterized showing good coverage of the FTO substrates, absence of defects such as pinholes and orthorhombic structure. Photovoltaic and impedance characterization was carried out by pressing a carbon coated metal spring onto the CsPbBr3 film until obtaining maximized open‐circuit potential (Voc) and short‐circuit photocurrent density (jsc) under simulated sunlight. The stabilized current at fixed voltage (SCFV) technique gave a maximum PCE value of 2.70 % close to devices with similar configuration. Impedance measurements demonstrated analogous behavior to that of state‐of‐art CsPbBr3 based solar cells, comprising a recombination arc at mid‐high frequencies, geometrical capacitance and ideality factors closed to 2, typical of SRH recombination in the perovskite bulk.
Biuret—A Crucial Reaction Intermediate for Understanding Urea Pyrolysis To Form Carbon Nitrides: Crystal‐Structure Elucidation and In Situ Diffractometric, Vibrational and Thermal Characterisation
Authors: Gross Peter , Höppe Henning A. 
Published: June 2020

AbstractThe crystal structure of biuret was elucidated by means of XRD analysis of single crystals grown through slow evaporation from a solution in ethanol. It crystallises in its own structure type in space group C2/c (a=15.4135(8) Å, b=6.6042(3) Å, c=9.3055(4) Å, Z=8). Biuret decomposition was studied in situ by means of temperature‐programmed powder XRD and FTIR spectroscopy, to identify a co‐crystalline biuret–cyanuric acid phase as a previously unrecognised reaction intermediate. Extensive thermogravimetric studies of varying crucible geometry, heating rate and initial sample mass reveal that the concentration of reactive gases at the interface to the condensed sample residues is a crucial parameter for the prevailing decomposition pathway. Taking these findings into consideration, a study on the optimisation of carbon nitride synthesis from urea on the gram scale, with standard solid‐state laboratory techniques, is presented. Finally, a serendipitously encountered self‐coating of the crucible inner walls by graphite during repeated synthetic cycles, which prove to be highly beneficial for the obtained yields, is reported.
Formation of Highly Ordered Molecular Porous 2D Networks from Cyano‐Functionalized Porphyrins on Cu(111)
Authors: Adhikari Rajan , Siglreithmaier Gretel , Gurrath Martin , Meusel Manuel , Kuliga Jan , Lepper Michael , Hölzel Helen , Jux Norbert , Meyer Bernd , Steinrück Hans‐Peter , Marbach Hubertus 
Published: June 2020

AbstractWe investigated the adsorption of three related cyano‐functionalized tetraphenyl porphyrin derivatives on Cu(111) by scanning tunneling microscopy (STM) in ultra‐high vacuum (UHV) with the goal to identify the role of the cyano group and the central Cu atom for the intermolecular and supramolecular arrangement. The porphyrin derivatives studied were Cu‐TCNPP, Cu‐cisDCNPP, and 2H‐cisDCNPP, that is, Cu‐5,10,15,20‐tetrakis‐(p‐cyano)‐phenylporphyrin, Cu‐meso‐cis‐di(p‐cyano)‐phenylporphyrin and 2H‐meso‐cis‐di(p‐cyano)‐phenylporphyrin, respectively. Starting from different structures obtained after deposition at room temperature, all three molecules form the same long‐range ordered hexagonal honeycomb‐type structure with triangular pores and three molecules per unit cell. For the metal‐free 2H‐cisDCNPP, this occurs only after self‐metalation upon heating. The structure‐forming elements are pores with a distance of 3.1 nm, formed by triangles of porphyrins fused together by cyano‐Cu‐cyano interactions with Cu adatoms. This finding leads us to suggest that two cyano‐phenyl groups in the “cis” position is the minimum prerequisite to form a highly ordered 2D porous molecular pattern. The experimental findings are supported by detailed density functional theory calculations to analyze the driving forces that lead to the formation of the porous hexagonal honeycomb‐type structure.
Highly Tough, Stretchable, Self‐Adhesive and Strain‐Sensitive DNA‐Inspired Hydrogels for Monitoring Human Motion
Authors: Chen Binggang , Wang Wenliang , Yan Xinxin , Li Shengran , Jiang Sangni , Liu Sanrong , Ma Xiaojing , Yu Xifei 
Published: June 2020

AbstractHydrogels used as strain sensors often rely on splicing tapes to attach them to surfaces, which causes much inconvenience. Therefore, to develop strain sensor hydrogels that possess both good mechanical properties and self‐adhesion is still a great challenge. Inspired by the multiple hydrogen bonding interactions of nucleobases in DNA, we designed and synthesized a series of hydrogels PAAm‐GO‐Aba/Tba/Aba+Tba comprising polyacrylamide (PAAm), graphene oxide (GO), acrylated adenine and thymine (Aba and Tba). The introduction of nucleobases helps hydrogels to adhere to various substrates through multiple hydrogen‐bonding interactions. It has also been found that the adhesive strength of hydrogels with nucleobases for hogskin increased to 2.5 times that of those without nucleobases. Meanwhile, these hydrogels exhibited good dynamic mechanical and self‐recovery properties. They can be directly attached to human skin as strain sensors to monitor the motions of finger, wrist, and elbow. Electrical tests indicate that they give precise real‐time monitoring data and exhibit good strain sensitivity and electrical stability. This work provides a promising basis from which to explore the fabrication of tough, self‐adhesive, and strain‐sensitive hydrogels as strain sensors for applications in wearable devices and healthcare monitoring.
Synthesis of Oligonucleotides containing the cis‐Interstrand Crosslink Produced by Mitomycins in their Reaction with DNA
Authors: Aguilar William , Zacarias Owen , Romaine Marian , Proni Gloria , Petrovic Ana G. , Abzalimov Rinat , Paz Manuel M. , Champeil Elise 
Published: June 2020

AbstractMitomycin C (MC) an antitumor drug and decarbamoylmitomycin C (DMC), a derivative of MC lacking the carbamoyl moiety, are DNA alkylating agents which can form DNA interstrand crosslinks (ICLs) between deoxyguanosine residues located on opposing DNA strands. MC forms primarily deoxyguanosine adducts with a 1“‐R stereochemistry at the guanine‐mitosene bond (1”‐α, trans) whereas DMC forms mainly adducts with a 1“‐S stereochemistry (1”‐β, cis). The crosslinking reaction is diastereospecific: trans‐crosslinks are formed exclusively at CpG sequences, while cis‐crosslinks are formed only at GpC sequences. Until now, oligonucleotides containing 1“‐β‐deoxyguanosine adducts or ICL at a specific site could not be synthesized, thus limiting the investigation of the role played by the stereochemical configuration at C1′′ in the toxicity of these compounds. Here, a novel biomimetic synthesis to access these substrates is presented. Structural proof of the adducted oligonucleotides and ICL were provided by enzymatic digestion to nucleosides, high resolution mass spectral analysis, CD spectroscopy and UV melting temperature studies. Finally, a virtual model of the 25‐mer 1”‐β ICL synthesized was created to explore the conformational space and structural features of the crosslinked duplex.
Development a clinical prediction model of the neurological outcome for patients with coma and survived 24 hours after cardiopulmonary resuscitation
Authors: Wang Hai , Tang Long , Zhang Li , Zhang Zheng‐Liang , Pei Hong‐Hong 
Published: June 2020

AbstractBackgroundCardiac arrest is still a global public health problem at present. The neurological outcome is the core indicator of the prognosis of cardiac arrest. However, there is no effective means or tools to predict the neurological outcome of patients with coma and survived 24 hours after successful cardiopulmonary resuscitation (CPR).HypothesisTherefore, we expect to construct a prediction model to predict the neurological outcome for patients with coma and survived 24 hours after successful CPR.MethodsA retrospective cohort study was used to construct a prediction model of the neurological function for patients with coma and survived 24 hours after successful CPR. From January 2007 to December 2015, a total of 262 patients met the inclusion and exclusion criteria.ResultsThe predictive model was developed using preselected variables by a systematic review of the literature. Finally, we get five sets of models (three sets of construction models and two sets of internal verification models) which with similar predictive value. The stepwise model, which including seven variables (age, noncardiac etiology, nonshockable rhythm, bystander CPR, total epinephrine dose, APTT, and SOFA score), was the simplest model, so we choose it as our final predictive model. The area under the ROC curve (AUC), specificity, and sensitivity of the stepwise model were respectively 0.82 (0.77, 0.87), 0.72and 0.82. The AUC, specificity, and sensitivity of the bootstrap stepwise (BS stepwise) model were respectively 0.82 (0.77, 0.87), 0.71, and 0.82.ConclusionThis new and validated predictive model may provide individualized estimates of neurological function for patients with coma and survived 24 hours after successful CPR using readily obtained clinical risk factors. External validation studies are required further to demonstrate the model's accuracy in diverse patient populations.