bluuebunny/crossref_metadata_2025 huggingface dataset:
Photoinitiated functionalization of minerals fillers for dental composites
Authors:   LEPCMAE, Faculté de Chimie USTHB BP32 El-Alia Alger, Algérie, BAYOU Samir , MOUZALI Mohammed ,   LEPCMAE, Faculté de Chimie USTHB BP32 El-Alia Alger, Algérie, LECAMP Laurence ,   Normandie Université, INSA de Rouen, CNRS UMR 6270, FR 3038, Avenue de l’Université, BP 08, 76801 Saint Etienne du Rouvray, France, LEBAUDY Philippe ,   Normandie Université, INSA de Rouen, CNRS UMR 6270, FR 3038, Avenue de l’Université, BP 08, 76801 Saint Etienne du Rouvray, France
Published: October 2021

"Organosilanes bearing alkoxysilane are widely used in sol-gel process. In this process, the hydrolysis reaction is usually carried out in aqueous or hydroalcoholic solutions and the condensation reaction requires high temperatures. The hydrolysis of the alkoxysilanes in the presence of water is fast and can be considered as complete. The obtained silanols can then condensate into oligomers by a much slower reaction that depends on temperature. Our objective is to devise a simple synthesis way for grafting such coupling agent onto the mineral fillers surface without using solvent and heating. Mineral fillers are used as reinforcement in dental composites based on Bis-GMA/TEGDMA. The way developed in this work involves a photoinitiated sol-gel process. It consists in using a photoacid generator to activate the hydrolysis and condensation reactions under atmospheric humidity. Mineral oxides usually used in dental materials were chosen as inorganic filler: the zirconia (ZrO2) which is a radiopacifiant agent and the alumina (Al2O3) which allows improving the mechanical properties of the composite. A kinetic study of the self-condensation of the 3-MPS used as coupling agent in the presence of Irgacure 250 ® as photoacid generator was carried out and the operating conditions (irradiation intensity and time) of the functionalization reaction were optimized. Grafted fillers were characterized by FTIR spectroscopy and thermogravimetic analysis. FTIR and TGA analyses of the particles after treatment allow confirming the grafting. Compared to the conventional way, the photoinitiated process proves to be faster, easier, less expensive in energy, and much more efficient in terms of 3-MPS grafted quantity. "
MPSC6 binuclear complexes immobilized on graphene oxide for oxidation of lignin model compounds and lignin
Authors:   Chongqing Key Laboratory of Industrial Fermentation Microorganism, Chongqing University of Science and Technology, Chongqing, 401331, China, ZHOU Xue-Fei , ZOU Zheng-Rong ,   Jiangxi Provincial Key Laboratory of Protection and Utilization of Subtropical Plant Resources, Jiangxi Normal University, Nanchang, 330027, China, YANG Xiao-Jun ,   Key Laboratory of Green Chemical Engineering Process of Ministry of Education, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, 430205, China
Published: October 2021

An efficient process for the oxidative degradation of lignin using M-GO (MPSC6 binuclear complexes immobilized on graphene oxide) biomimetic catalysts in acetonitrile was developed in this work. Different M-GO catalysts (M=Co, Cu, Zn and Ni) were used to catalyze the depolymerization of lignin model compounds and organosolv lignin. The results showed that the immobilization of MPSC6 complexes on GO was favorable for regulating the valuable depolymerization of the model compounds and lignin. The optimal solid catalyst Co-GO exhibited high catalytic activity, which showed a 83.04% conversion of phenolic β-O-4 lignin model compound, a 91.26% conversion of veratryl alcohol and a 96.24% conversion of vanillyl alcohol with a catalyst/model compound ratio of 50 mg:10 mmol and a dosage of 15 mmol H2O2 at 80 °C for 3 h. The stuctural changes of organosolv lignin occurred in catalytic oxidation were analyzed in terms of O/C ratio, molecular weight and OH content of lignin samples, and a plausible mechanism involving the formation of aromatic products and muconolactone from lignin depolymerization over M-GO was also proposed.
Experimental evaluation of free chlorine adsorption from circulating water in cooling towers by activated carbon in a fixed bed column
Authors:   Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran, BEHZADI Bahman , NOEI Maziar ,   Department of Chemistry, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran, AZIMI Alireza ,   Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran, MIRZAEI Masoumeh ,   Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran, ANARAKI-ARDAKANI Hossein ,   Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
Published: October 2021

One of the most important absorbents used in the water and sewage industry and oil and gas industry is the activated carbon, which can be used to remove free chlorine from water and wastewater. If the important parameters of the process affecting the adsorption efficiency are not recognized and controlled, it can cause irreparable damage to downstream equipment and the environment. In the cooling towers system, excessive amounts of chlorine are often injected into the system, which can cause severe corrosion of the equipment and stop production. In this study, the removal of free chlorine from the circulating water of the cooling tower was examined by adsorption and in order to evaluate the effect of pH and water flow containing free chlorine and concentration in the inlet water, experiments were performed on a pilot scale. The adsorbent used in this research was PICA's Industrial Carbon Active. For this purpose, a tower with a fixed bed was first designed and built. The tower used 4,500 grams of activated carbon as an adsorbent. Experimental results showed that by passing 51549 liters of chlorinated water with free chlorine (at different concentrations and pH), 4058 g of chlorine was absorbed by activated carbon. Experimental results also showed that the lower the pH of the solution and the higher the flow rate of the solution, the higher the amount of chlorine adsorption by activated carbon. Also in this study, kinetic reaction of chlorine adsorption by activated carbon was investigated with Thomas, Adams – Bohart, and Yoon-Nelson Models, and the reaction rate constant K for the Thomas and Adams – Bohart models was Kb = KTh = 0.02037037 min-1 (R2=0.915), and for the kinetic models of Wang and Yoon – Nelson, KW=KYN = 0.022 min-1 was obtained and the time required to consume 50% of the adsorption bed was t1/2=258.09 min. The Wolburska kinetic model did not match well with the experimental data (R2=0.769).
Iron(III), gold(III), platinum(IV) and palladium(II) trimethoprim drug complexes: synthesis, spectroscopic, morphological and anticancer assessments
Authors:   Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia, ALBEDAIR Lamia A.
Published: October 2021

Iron(III), gold(III), platinum(IV) and palladium(II) complexes of trimethoprim (TMP) drug were synthesized and well characterized using elemental analysis, conductance measurements, (UV-Vis, FTIR, 1HNMR and X-ray powder diffraction) spectroscopy. The Au(III), Pt(IV) and Pd(II) complexes have a four coordinate geometry comprising one molecules of the TMP drug and two coordinated chloride ions, while, iron(III) complex has an octahedral geometry containing one TMP, three chloride and one coordinated water molecules. The TMP drug acts as a bi-dentate chelate towards the metal ions through the nitrogen atoms of the two amino groups attached with pyrimidine ring, this was confirmed by spectroscopic analyses with the molecular formulas [Fe(TMP)Cl3(H2O)].4H2O, [Au(TMP)Cl2]Cl2H2O, [Pt(TMP)Cl2]Cl22H2O and [Pd(TMP)Cl2]. The transmission electron microscopy (TEM) and XRD analyses deduced that the gold(III) complex has a nano-scale range at ~ 10 nm. The [Au(TMP)Cl2]Cl2H2O complex was screened for its cytotoxicity evaluation against hepatocellular carcinoma (HepG2) and colon carcinoma (HCT-116) cell lines. It is showed that the IC50 of gold(III) complex are 7.46 µg/mL and 9.30 µg/mL against HepG2 and HCT-116 cancer cell lines, respectively.
New hypercoordinated triaryltelluronium derivatives of oraganophosphorus ligands. Synthesis and structural characterization
Authors:   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. 11, RO-400028, Cluj-Napoca, Roumania, DENES Eleonora , VLASSA Mihaela ,   “Raluca Ripan” Institute for Research in Chemistry, Babeş-Bolyai University, Fântânele Str. 30, RO-400294, Cluj-Napoca, Roumania, SILVESTRU Cristian ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. 11, RO-400028, Cluj-Napoca, Roumania, SILVESTRU Anca ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. 11, RO-400028, Cluj-Napoca, Roumania
Published: October 2021

Hypercoordinated triaryltelluronium compounds of type [{2-(Me2NCH2)C6H4}3Te]+L [L = (SPMe2)2N (1), (OPPh2)2N (2), (SPPh2)2N (3), (SPPh2){OP(OEt)2}N (4), (SPPh2)(O2SMe)N (5) and {SP(OEt)2}(O2SC6H4Cl-4)N (6)] were prepared by salt metathesis reactions between [{2-(Me2NCH2)C6H4}3Te]Cl•H2O and the potassium salts of the corresponding organophosphorus ligands in a 1:1 molar ratio. Multinuclear NMR spectroscopy, mass spectrometry, molar conductivity and IR spectroscopy were used to characterize the new complexes. The 1H NMR spectra suggest for all compounds the intramolecular coordination of the nitrogen atoms from the pendant arms to tellurium in solution. For compound 3 single-crystal X-ray diffraction studies revealed strong N→Te intramolecular interactions in solid state, which result in hypercoordinated triaryltelluronium(IV) cations (14‒Te‒6 species) with a distorted octahedral coordination geometry around tellurium. Weak S⋅⋅⋅H interactions between anions and cations resulted in a 2D supramolecular network.
Reactions of heteroleptic [Cu(acac)(AA)(H2O)]+ complexes with carboxylate anions (acac- = acetylacetonate, AA = 2,2’-bipyridine, 1,10-phenanthroline)
Authors:   Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Bucharest, Str. Dumbrava Rosie nr. 23, Bucharest, Roumania, TARABUTA Paul A. , MAXIM Catalin ,   Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Bucharest, Str. Dumbrava Rosie nr. 23, Bucharest, Roumania, ANDRUH Marius ,   Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Bucharest, Str. Dumbrava Rosie nr. 23, Bucharest, Roumania
Published: October 2021

The reactions of [Cu(acac)(AA)(H2O)]+ species (AA = 2,2’-bipyridine, 1,10-phenanthroline) with anions derived from 4-methylphenol-2,6-dicarboxylic (H3MeIPA) and isophthalic acids (H2IPA) generate new complexes, which result by substituting the acetylacetonato ligand by carboxylato ones: [Cu(bipy)(HMeIPA)(H2O)]∙0.5H2O∙DMF 1 (DMF = dimethylformamide), 1∞[Cu(bipy)(IPA)(H2O)2]∙H2O∙DMF 2, and 1∞[Cu(phen)(IPA)(H2O)]∙DMF 3. The crystal structures of 1 - 3 have been solved. Compound 1 is a mononuclear complex, while compounds 2 and 3 are one-dimensional coordination polymers with a zigzag topology.
Effect of UV irradiation on surface of collagen film
Authors:   “Petru Poni” Institute of Macromolecular Chemistry, 41-A Grigore Ghica Voda Alley, 700487, Iaşi, Roumania, DROBOTĂ Mioara , BARBĂLATĂ-MÂNDRU Mihaela ,   “Petru Poni” Institute of Macromolecular Chemistry, 41-A Grigore Ghica Voda Alley, 700487, Iaşi, Roumania, GRĂDINARU Luiza Mădălina ,   “Petru Poni” Institute of Macromolecular Chemistry, 41A Gr. Ghica Voda Alley, 700487 Iaşi, Roumania, ALEXA Ionel ,   “S.C. All Green S.R.L.”, Iancu Bacalu Street, no. 5, 700029, Iasi, Roumania
Published: October 2021

It is well known that ultraviolet (UV) radiation is considered to be one of the most hazardous external factor that induces skin damage, leading in some cases to skin carcinoma. The most abundant protein in human skin tissue is collagen, which is responsible for conferring strength and resiliency. Taking into account these aspects, the present paper study the influence of the UV-irradiation on surface of a collagen film. Thus, the surface modification of the collagen film after irradiation was monitored with the help of the FTIR spectroscopy in close correlation with contact angle determinations and profilometry analysis. The obtained data reveal that after UV-irradiation, the collagen film has shown different structural changes which depend on the irradiation time. At short irradiation time, some cleavage and reorganization of the surface structural groups take place, but in contrast, the highest radiation exposure led to degradation.
Preparation and surface characterization of polyurethane hydrogels
Authors:   “Petru Poni” Institute of Macromolecular Chemistry, 41-A Grigore Ghica Voda Alley, 700487, Iaşi, Roumania, BARBĂLATĂ-MÂNDRU Mihaela , BERCEA Maria ,   “Petru Poni” Institute of Macromolecular Chemistry, 41-A Grigore Ghica Voda Alley, 700487, Iaşi, Roumania, GRĂDINARU Luiza Madalina ,   “Petru Poni” Institute of Macromolecular Chemistry, 41A Gr. Ghica Voda Alley, 700487 Iaşi, Roumania, AFLORI Magdalena ,   “Petru Poni” Institute of Macromolecular Chemistry, 41-A Grigore Ghica Voda Alley, 700487, Iaşi, Roumania, ALBULESCU Radu ,   Polymer Adhesive Tapes SRL, 96-B Timisoara Boulevard, 6th District, Bucharest, Roumania
Published: October 2021

In the present study, new hydrogels based on polyurethane (PU) and poly(vinyl alcohol) PVA were obtained by freezing–thawing method from aqueous solution. The surfaces of PU/PVA hydrogels were characterized in terms of porosity, roughness, water swelling, Raman and Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy. The average pore size increased from 0.6 μm to 21 μm for pure PVA and the PU/PVA hydrogels. The Raman and ATR-FTIR analysis provided hydrophobic interactions and hydrogen bonds interactions between the hydroxyl groups from PVA with the large number of urethane groups from polyurethane. The incorporation of polyurethane also increased the surface roughness and the swelling water of the PVA hydrogels and made the surface more porous, a desirable feature for biomedical application.
The first 40 years of soft anticholinergic agents
Authors:   Bodor Laboratories Inc., 4400 Biscayne Blvd., Ste. 980, Miami FL USA  33137-3212, BODOR Nicholas , BODOR Erik ,   Bodor Laboratories Inc., 4400 Biscayne Blvd., Ste. 980, Miami FL USA  33137-3212
Published: October 2021

Retrometabolic drug design approaches (RMDD) combine quantitative structure-activity and structure-metabolism relations (QSAR and QSMR) to improve the therapeutic index (ratio of toxic and effective dose, TI = TD50/ED50), of newly designed drugs. Soft drug (SD) design approaches, a subclass of RMDD, have been successfully employed in the development of safer drugs. The combination of “soft analog” and “inactive metabolite” techniques in drug development was first exemplified by the highly successful and safe soft corticosteroid, Loteprednol Etabonate. Similar techniques have been used to design safe topically active anticholinergic drugs with much reduced side effects. The “soft analog” and some of the “inactive metabolite” approaches have led to improved antimuscarinic drug candidates, which all (n = 76) can be fit with a bilinear exponential equation of activity vs molecular descriptors. The “remote inactive metabolite” approach was the most successful, having resulted in the new and very safe drug Sofpironium Bromide, which received regulatory approval to treat hyperhidrosis, a debilitating idiopathic disease and an unmet need.
Ethoxy-tethered calix[4]arenes containing P(III) substituents and trimethylsiloxy groups as building blocks in supramolecular chemistry; cis/trans intra- and intermolecular complexation of dichloroplatinum(II) fragments
Authors:   Institute for Inorganic and Analytical Chemistry of the Technical University of Braunschweig, Hagenring 30, 38106 Braunschweig, Germany, NEDA Ion , BALCU Ionel ,   National Research and Development Institute for Electrochemistry and Condensed Matter, Str. Dr. A. Păunescu Podeanu Nr. 144, Ro-300569 Timişoara, Roumania, MACARIE Corina ,   National Research and Development Institute for Electrochemistry and Condensed Matter, Str. Dr. A. Păunescu Podeanu Nr. 144, Ro-300569 Timişoara, Roumania
Published: October 2021

p-tert-Butylcalix[4]arene 1 reacts with bromoethyl acetate and LiAlH4 to form the p-tert-butyl-tetrakis(2-hydroxyethoxy)calix[4]arene 8 bearing four ethyl-spacers at the lower rim of the calixarene. Reaction of 8 with Et2NSiMe3 leads to the tetrakis-substituted derivative 9. Treatment of 9 with PF2Cl gives the stable tetrakis-fluorophosphite 10, while the reaction with 2-chloro-1,3,5-trimethyl-1,3,5-triaza-2σ3λ3-phosphorin-4,6-dione furnishes the tetrakis-substituted molecule 11. When 11 was allowed to react with SO2Cl2, formation of the tetrakis(2-chloro)ethyl substituted calix[4]arene 13 was observed. All examined calixarene derivatives are exclusively obtained in the cone conformer. Reaction of 11 with dichloro(cyclooctadiene)platinum(II) leads to the symmetrically four-times bridged dimmer 15, which exhibits a trans orientation of the atoms surrounding the platinum(II) atom and involves all eight phosphorus atoms in the bridges. When 10 was treated with (COD)PtCl2, the cis intermolecular complex 16 was obtained.
{2,6-Bis[(dimethylamino)methyl]phenyl} mercury(II) acetate, [2,6-(Me2NCH2)C6H3]Hg(OAc) – a useful intermediate for selective palladation of 1,3-(Me2NCH2)2C6H4
Authors:   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, 11 Arany Janos Str., RO-400028 Cluj-Napoca, Roumania, KISS Levente , SHOVA Sergiu ,   “Petru Poni” Institute of Macromolecular Chemistry, 41A Aleea Grigore Ghica Vodă, RO- 700487 Iasi, Roumania, VLASSA Mihaela ,   “Raluca Ripan” Institute for Research in Chemistry, Babeş-Bolyai University, 30 Fântânele Str., RO-400294 Cluj-Napoca, Roumania, SILVESTRU Anca ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, 11 Arany Janos Str., RO-400028 Cluj-Napoca, Roumania, RAŢ Ciprian I. ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, 11 Arany Janos Str., RO-400028 Cluj-Napoca, Roumania, SILVESTRU Cristian ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, 11 Arany Janos Str., RO-400028 Cluj-Napoca, Roumania
Published: October 2021

The compound [2,6-(Me2NCH2)2C6H3]Hg(OAc) (1) was prepared by direct mercuration of 1,3-(Me2NCH2)2C6H4 with Hg(OAc)2. Treatment of 1 with excess of LiCl resulted in isolation of the chloride [2,6-(Me2NCH2)2C6H3]HgCl (2) in a good yield. The IR spectroscopy confirms the presence of the acetate group in 1. Both compounds 1 and 2 were characterized by solution multinuclear (1H, 13C and 199Hg) NMR spectroscopy and mass spectrometry. Their crystal and molecular structures were established by single-crystal X-ray diffraction. Different intermolecular interactions, i.e. Hg···Hg, O···Hg and C‒H···π (Arcentroid), were found for both compounds in solid state resulting in dimer or chain polymer associations.
Structural aspects in diorganotin(IV) complexes. Ph2Sn(S2CNMe2)(NCS) case study
Authors:   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. No. 11, RO-400028, Cluj-Napoca, Roumania, ȘALGĂU Cătălin , SILVESTRU Cristian ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. No. 11, RO-400028, Cluj-Napoca, Roumania, SILVESTRU Anca ,   Supramolecular Organic and Organometallic Chemistry Centre, Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str. No. 11, RO-400028, Cluj-Napoca, Roumania
Published: October 2021

The diorganotin(IV) compound Ph2Sn(S2CNMe2)(NCS) (3) was obtained by reacting either Ph2Sn(SCN)2 (1) or Ph2Sn(S2CNMe2)Cl (2) with sodium dimethyldithiocarbamate, in a 1:1 molar ratio, in CH2Cl2. Multinuclear (1H, 13C and 119Sn) NMR spectroscopy and mass spectrometry were used to characterize the new complex. Single-crystal X-ray diffraction studies revealed a bidentate behaviour of the dithiocarbamato ligand and a monodentate coordination of the NCS moiety through its nitrogen atom, thus resulting in a pentacoordinated C2SnS2N core. A 3D supramolecular network built through weak intermolecular S∙∙∙S and S∙∙∙H interactions was evidenced in the crystal of 3.
Assessing operational inactivation of horseradish peroxidase during Brilliant Blue G decolorization
Authors:   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, 4-12 Elisabeta Blvd., 030018, Bucharest, Roumania, MĂRTINAȘ Delia , PUIU Mihaela ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, 4-12 Elisabeta Blvd., 030018, Bucharest, Roumania, OANCEA Petruţa ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, 4-12 Elisabeta Blvd., 030018, Bucharest, Roumania, RĂDUCAN Adina ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, 4-12 Elisabeta Blvd., 030018, Bucharest, Roumania
Published: October 2021

An efficiency study about the horseradish peroxidase (HRP) activity over Brilliant Blue-G (BB) decolorization with hydrogen peroxide was achieved through kinetic analysis. Differential and extended kinetic curves were used for assessing the inactivation paths and for optimizing the overall degradation process. The catalytic and the specificity constants estimated via Michaelis-Menten model demonstrated that HRP is highly efficient in dye decolorization, although operational inactivation due to formation of degradation products still occurred. It was noticed that the bicarbonate anions exerted protective effects on the enzyme inactivation caused by the oxidizing substrate but affected less the inactivation due to the degradation products of BB.
Degradation of Brilliant Blue FCF through photolysis, irradtion and photo-fenton processes: a comparative study
Authors:   “Ilie Murgulescu” Institute of Physical Chemistry, Roumanian Academy, 202 Splaiul Independentei, 060021 Bucharest, Roumania, NEGOESCU Daniela , OANCEA Petruța ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta, 4-12, Bucharest 030018, Roumania, RĂDUCAN Adina ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta, 4-12, Bucharest 030018, Roumania, PUIU Mihaela ,   Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta, 4-12, Bucharest 030018, Roumania
Published: October 2021

In this work we performed a comparative study regarding the performance characteristics of three photochemical treatments for Brilliant Blue degradation: photolysis (only UV radiation), irradiation in the presence of H2O2 (H2O2 /UV), photo-Fenton reaction (Fe2+/H2O2 /UV). The kinetic analysis revealed that BB degradation follows an apparent first order kinetics. The examination of the estimated rate constants and the degradation efficiencies revealed the superior performance of the photo-Fenton oxidation, which may be due an increased gain of reactive oxygen species species comparative to the UV or UV/H2O2 treatment.
Phase equilibria for the carbon dioxide + cyclopentane + cyclohexane system at high pressures
Authors:   Department of Inorganic Chemistry, Physical Chemistry & Electrochemistry, University Politehnica of  Bucharest, S1, 011061, Bucharest, ROUMANIA, IONIŢĂ Mihaela , SIMA Sergiu ,   Department of Inorganic Chemistry, Physical Chemistry & Electrochemistry, University Politehnica of Bucharest, S1, 011061, Bucharest, ROUMANIA, CISMONDI Martin ,   Institute for Research and Development in Process Engineering and Applied Chemistry (IPQA), National University of Córdoba (UNC) - CONICET, Córdoba, Argentina, SECUIANU Catinca ,   Department of Inorganic Chemistry, Physical Chemistry & Electrochemistry, University Politehnica of Bucharest, S1, 011061, Bucharest, ROUMANIA
Published: October 2021

Isothermal vapor–liquid equilibrium measurements for the ternary mixture carbon dioxide + cyclopentane + cyclohexane at 353.15 K are reported. Phase equilibrium measurements were made in a high-pressure visual cell with variable volume using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The new measured data were modelled with the RK–PR equation of state (EoS) coupled with classical van der Waals (two-parameter conventional mixing rule, 2PCMR).
Epidermal Growth Factor Receptor Inhibitor-Induced Hypomagnesaemia: Is There a Best Replacement Strategy?
Authors: Siddiqui Zeba , Ahmed Sumaiya , Vickers Michael
Published: October 2021

Monoclonal antibodies targeting the epidermal growth factor receptor (EGFRI), such as cetuximab and panitumumab, are commonly used systemic therapies for advanced colorectal and head and neck cancers. Hypomagnesaemia is a common side effect of these therapies and occurs in up to 30% of patients. Interruption of EGFR signalling in the distal convoluted tubule leads to inactivation of the transcellular transporter transient receptor potential channel melastatin member 6 and increased renal magnesium excretion. This paper describes the incidence, risk factors, and the emerging management options for EGFRI-induced hypomagnesaemia.
Clostridium acetobutylicum atpG-Knockdown Mutants Increase Extracellular pH in Batch Cultures
Authors: Jang Yu-Sin , Seong Hyeon Jeong , Kwon Seong Woo , Lee Yong-Suk , Im Jung Ae , Lee Haeng Lim , Yoon Ye Rin , Lee Sang Yup
Published: October 2021

ATPase, a key enzyme involved in energy metabolism, has not yet been well studied in Clostridium acetobutylicum. Here, we knocked down the atpG gene encoding the ATPase gamma subunit in C. acetobutylicum ATCC 824 using a mobile group II intron system and analyzed the physiological characteristics of the atpG gene knockdown mutant, 824-2866KD. Properties investigated included cell growth, glucose consumption, production of major metabolites, and extracellular pH. Interestingly, in 2-L batch fermentations, 824-2866KD showed no significant difference in metabolite biosynthesis or cell growth compared with the parent ATCC 824. However, the pH value in 824-2866KD cultures at the late stage of the solventogenic phase was abnormally high (pH 6.12), compared with that obtained routinely in the culture of ATCC 824 (pH 5.74). This phenomenon was also observed in batch cultures of another C. acetobutylicum, BEKW-2866KD, an atpG-knockdown and pta-buk double-knockout mutant. The findings reported in this study suggested that ATPase is relatively minor than acid-forming pathway in ATP metabolism in C. acetobutylicum.
Is Natural Population of Candida tropicalis Sexual, Parasexual, and/or Asexual?
Authors: Xu Jianping
Published: October 2021

Candida tropicalis is one of the most common opportunistic yeast pathogens of humans, especially prevalent in tropical and subtropical regions. This yeast has broad ecological distributions, can be found in both terrestrial and aquatic ecosystems, including being associated with a diversity of trees, animals, and humans. Evolutionary theory predicts that organisms thriving in diverse ecological niches likely have efficient mechanisms to generate genetic diversity in nature. Indeed, abundant genetic variations have been reported in natural populations (both environmental and clinical) of C. tropicalis. However, at present, our understanding on how genetic diversity is generated in natural C. tropicalis population remains controversial. In this paper, I review the current understanding on the potential modes of reproduction in C. tropicalis. I describe expectations of the three modes of reproduction (sexual, parasexual, and asexual) and compare them with the observed genotypic variations in natural populations. Though sexual and parasexual reproduction cannot be excluded, the analyses suggest asexual reproduction alone could explain all the observations reported so far. The results here have implications for understanding the evolution and epidemiology of C. tropicalis and other related human fungal pathogens.
The Roles of Macrophages in Heart Regeneration and Repair After Injury
Authors: Gao Ying , Qian Ningjing , Xu Jingmiao , Wang Yaping
Published: October 2021

Although great advances have been made, the problem of irreversible myocardium loss due to the limited regeneration capacity of cardiomyocytes has not been fully solved. The morbidity and mortality of heart disease still remain high. There are many therapeutic strategies for treating heart disease, while low efficacy and high cost remain challenging. Abundant evidence has shown that both acute and chronic inflammations play a crucial role in heart regeneration and repair following injury. Macrophages, a primary component of inflammation, have attracted much attention in cardiac research in recent decades. The detailed mechanisms of the roles of macrophages in heart regeneration and repair are not completely understood, in part because of their complex subsets, various functions, and intercellular communications. The purpose of this review is to summarize the progress made in the understanding of macrophages, including recent reports on macrophage differentiation, polarization and function, and involvement in heart regeneration and repair. Also, we discuss progress in treatments, which may suggest directions for future research.
Plasma Hydrogen Sulfide Is Positively Associated With Post-operative Survival in Patients Undergoing Surgical Revascularization
Authors: Longchamp Alban , MacArthur Michael R. , Trocha Kaspar , Ganahl Janine , Mann Charlotte G. , Kip Peter , King William W. , Sharma Gaurav , Tao Ming , Mitchell Sarah J. , Ditrói Tamás , Yang Jie , Nagy Péter , Ozaki C. Keith , Hine Christopher , Mitchell James R.
Published: October 2021

Objective: Hydrogen sulfide (H2S) is a gaseous signaling molecule and redox factor important for cardiovascular function. Deficiencies in its production or bioavailability are implicated in atherosclerotic disease. However, it is unknown if circulating H2S levels differ between vasculopaths and healthy individuals, and if so, whether H2S measurements can be used to predict surgical outcomes. Here, we examined: (1) Plasma H2S levels in patients undergoing vascular surgery and compared these to healthy controls, and (2) the association between H2S levels and mortality in a cohort of patients undergoing surgical revascularization.

Methods: One hundred and fifteen patients undergoing carotid endarterectomy, open lower extremity revascularization or lower leg amputation were enrolled at a single institution. Peripheral blood was also collected from a matched control cohort of 20 patients without peripheral or coronary artery disease. Plasma H2S production capacity and sulfide concentration were measured using the lead acetate and monobromobimane methods, respectively.

Results: Plasma H2S production capacity and plasma sulfide concentrations were reduced in patients with PAD (p < 0.001, p = 0.013, respectively). Patients that underwent surgical revascularization were divided into high vs. low H2S production capacity groups by median split. Patients in the low H2S production group had increased probability of mortality (p = 0.003). This association was robust to correction for potentially confounding variables using Cox proportional hazard models.

Conclusion: Circulating H2S levels were lower in patients with atherosclerotic disease. Patients undergoing surgical revascularization with lower H2S production capacity, but not sulfide concentrations, had increased probability of mortality within 36 months post-surgery. This work provides insight on the role H2S plays as a diagnostic and potential therapeutic for cardiovascular disease.
The Ability of Near-Infrared Autofluorescence to Protect Parathyroid Gland Function During Thyroid Surgery: A Meta-Analysis
Authors: Wang Bin , Zhu Chun-Rong , Liu Hong , Yao Xin-Min , Wu Jian
Published: October 2021

Objective

We conducted this meta-analysis to assess the ability of near-infrared autofluorescence to protect parathyroid gland function during thyroid surgery.

Method

A systematic literature search was conducted using PubMed, Embase, and the Cochrane Library electronic databases for studies published up to February 2021. The reference lists of the retrieved articles were also reviewed. Two authors independently assessed methodological quality and extracted the data. A random-effects model was used to calculate the overall pooled variable and the weighted mean deviation. Publication bias in these studies was evaluated using the Egger’s and Begg’s tests.

Result

Seven studies involving 1,480 patients were included in the analysis. Compared with patients in the naked eye group, the pooled relative risk of inadvertent parathyroid gland resection and parathyroid gland autotransplantation for the patients in the near-infrared autofluorescence group was 0.48 (95% CI, 0.26–0.9, p = 0.023) and 0.39 (95% CI, 0.09–1.68, p = 0.208), respectively. The pooled relative risk of hypocalcemia at 1 day postoperatively and at 6 months postoperatively for the patients in the near-infrared autofluorescence group was 0.49 (95% CI, 0.34–0.71, p < 0.001) and 0.34 (95% CI, 0.06–2.03, p = 0.238) compared with patients in the naked eye group.

Conclusion

Near-infrared autofluorescence is significantly associated with a reduced risk of inadvertent parathyroid gland resection and hypocalcemia at 1 day postoperatively.
Prognostic Autophagy-Related Genes of Gastric Cancer Patients on Chemotherapy
Authors: Liu Xiaolong , Ma Bin , Chen Mali , Zhang Yaqing , Ma Zhen , Chen Hao
Published: October 2021

Background: Chemotherapy resistance based on fluorouracil and cisplatin is one of the most encountered postoperative clinical problems in patients diagnosed with gastric cancer (GC), resulting in poor prognosis.

Aim of the Study: This study aimed to combine autophagy-related genes (ARGs) to investigate the susceptibility patients with GC to postoperative chemotherapy.

Methods: Based on The Cancer Genome Atlas (TCGA) database, gene expression data for GC patients undergoing chemotherapy were integrated and analyzed. Prognostic genes were screened based on univariate and multivariate analysis regression analysis. Subjects were divided into high-risk and low-risk groups according to the median risk score. Kaplan-Meier method was used to evaluate OS and DFS. The accuracy of the prediction was determined by the subject operating characteristic curve analysis. In addition, stratified analyses based on different clinical variables was performed to assess the correlation between risk scores and clinical variables. Quantitative real-time (qRT) PCR was used to verify the expression of CXCR4 in GC tissues and cell lines.

Results: A total of nine ARGs related to the prognosis of chemotherapy patients were screened out. Compared with normal gastric mucosa cell, CXCR4 showed elevated expression in GC and was significantly associated with survival. Based on GEO and TCGA databases, the model accurately predicted DFS and OS after chemotherapy.

Conclusion: This study established prognostic markers based on nine genes, predicting that ARGs are related to chemotherapy susceptibility of GC patients, which can provide better individualized treatment regimens for clinical practice.
Locally Adjust Networks Based on Connectivity and Semantic Similarities for Disease Module Detection
Authors: Liu Jia , Zhu Huole , Qiu Jianfeng
Published: October 2021

For studying the pathogenesis of complex diseases, it is important to identify the disease modules in the system level. Since the protein-protein interaction (PPI) networks contain a number of incomplete and incorrect interactome, most existing methods often lead to many disease proteins isolating from disease modules. In this paper, we propose an effective disease module identification method IDMCSS, where the used human PPI networks are obtained by adding some potential missing interactions from existing PPI networks, as well as removing some potential incorrect interactions. In IDMCSS, a network adjustment strategy is developed to add or remove links around disease proteins based on both topological and semantic information. Next, neighboring proteins of disease proteins are prioritized according to a suggested similarity between each of them and disease proteins, and the protein with the largest similarity with disease proteins is added into a candidate disease protein set one by one. The stopping criterion is set to the boundary of the disease proteins. Finally, the connected subnetwork having the largest number of disease proteins is selected as a disease module. Experimental results on asthma demonstrate the effectiveness of the method in comparison to existing algorithms for disease module identification. It is also shown that the proposed IDMCSS can obtain the disease modules having crucial biological processes of asthma and 12 targets for drug intervention can be predicted.
Identification of Non-Canonical Translation Products in C. elegans Using Tandem Mass Spectrometry
Authors: Parmar Bhavesh S. , Peeters Marlies K. R. , Boonen Kurt , Clark Ellie C. , Baggerman Geert , Menschaert Gerben , Temmerman Liesbet
Published: October 2021

Transcriptome and ribosome sequencing have revealed the existence of many non-canonical transcripts, mainly containing splice variants, ncRNA, sORFs and altORFs. However, identification and characterization of products that may be translated out of these remains a challenge. Addressing this, we here report on 552 non-canonical proteins and splice variants in the model organism C. elegans using tandem mass spectrometry. Aided by sequencing-based prediction, we generated a custom proteome database tailored to search for non-canonical translation products of C. elegans. Using this database, we mined available mass spectrometric resources of C. elegans, from which 51 novel, non-canonical proteins could be identified. Furthermore, we utilized diverse proteomic and peptidomic strategies to detect 40 novel non-canonical proteins in C. elegans by LC-TIMS-MS/MS, of which 6 were common with our meta-analysis of existing resources. Together, this permits us to provide a resource with detailed annotation of 467 splice variants and 85 novel proteins mapped onto UTRs, non-coding regions and alternative open reading frames of the C. elegans genome.
Functional Classification of the ATM Variant c.7157C>A and In Vitro Effects of Dexamethasone
Authors: Biagiotti Sara , Barone Ambra , Aliano Mattia Paolo , Federici Giulia , Malatesta Marco , Caputi Caterina , Soddu Silvia , Leuzzi Vincenzo , Chessa Luciana , Magnani Mauro
Published: October 2021

Most of the ATM variants associated with Ataxia Telangiectasia are still classified as variants with uncertain significance. Ataxia Telangiectasia is a multisystemic disorder characterized by “typical” and “atypical” phenotypes, with early-onset and severe symptoms or with late-onset and mild symptoms, respectively. Here we classified the c.7157C > A ATM variant found in homozygosity in two brothers of Lebanese ethnicity. The brothers presented with an atypical phenotype, showing less than 50% of the positive criteria considered for classification. We performed several in silico analyses to predict the effect of c.7157C > A at the DNA, mRNA and protein levels, revealing that the alteration causes a missense substitution in a highly conserved alpha helix in the FAT domain. 3D structural analyses suggested that the variant might be pathogenic due to either loss of activity or to a structural damage affecting protein stability. Our subsequentin vitrostudies showed that the second hypothesis is the most likely, as indicated by the reduced protein abundance found in the cells carrying the variant. Moreover, two different functional assays showed that the mutant protein partially retains its kinase activity. Finally, we investigated thein vitroeffect of Dexamethasone showing that the drug is able to increase both protein abundance and activity. In conclusion, our results suggest that the c.7157C > A variant is pathogenic, although it causes an atypical phenotype, and that dexamethasone could be therapeutically effective on this and possibly other missense ATM variants.
Germline-Restricted Chromosome (GRC) in Female and Male Meiosis of the Great Tit (Parus major, Linnaeus, 1758)
Authors: Torgasheva Anna , Malinovskaya Lyubov , Zadesenets Kira , Shnaider Elena , Rubtsov Nikolai , Borodin Pavel
Published: October 2021

All songbirds studied so far have a germline-restricted chromosome (GRC), which is present in the germ cells and absent in the somatic cells. It shows a wide variation in size, morphology, and genetic content between the songbird species. In this paper, we analyzed GRC behavior in female and male meiosis of the great tit, using immunolocalization of meiotic proteins and FISH with GRC-derived DNA probes. We found that, despite dozens of million years of independent evolution, the great tit GRC displays a striking similarity with the GRCs of two species of martins and two species of estrildid finches examined earlier. It was usually present in two copies in females forming recombining bivalent and in one copy in males forming a condensed heterochromatic body with dotted-like axial elements of the synaptonemal complex. We observed mosaicism for the GRC copy number in the female and male great tit. This indicates that one of the GRC copies might be passively lost during premeiotic germ cell divisions. After the meiotic prophase, the GRC was ejected from most male germ cells. The reverse and interspecies FISH with GRC-specific microdissected DNA probes indicates that GRCs of the great tit, pale martin, and zebra finch differ substantially in their genetic content despite similarities in the meiotic behavior.
Advancing Adjuvants for Mycobacterium tuberculosis Therapeutics
Authors: Enriquez Ana B. , Izzo Angelo , Miller Shannon M. , Stewart Erica L. , Mahon Robert N. , Frank Daniel J. , Evans Jay T. , Rengarajan Jyothi , Triccas James A.
Published: October 2021

Tuberculosis (TB) remains one of the leading causes of death worldwide due to a single infectious disease agent. BCG, the only licensed vaccine against TB, offers limited protection against pulmonary disease in children and adults. TB vaccine research has recently been reinvigorated by new data suggesting alternative administration of BCG induces protection and a subunit/adjuvant vaccine that provides close to 50% protection. These results demonstrate the need for generating adjuvants in order to develop the next generation of TB vaccines. However, development of TB-targeted adjuvants is lacking. To help meet this need, NIAID convened a workshop in 2020 titled “Advancing Vaccine Adjuvants forMycobacterium tuberculosisTherapeutics”. In this review, we present the four areas identified in the workshop as necessary for advancing TB adjuvants: 1) correlates of protective immunity, 2) targeting specific immune cells, 3) immune evasion mechanisms, and 4) animal models. We will discuss each of these four areas in detail and summarize what is known and what we can advance on in order to help develop more efficacious TB vaccines.
Depletion of Human Papilloma Virus E6- and E7-Oncoprotein-Specific T-Cell Responses in Women Living With HIV
Authors: Mbuya Wilbert , Held Kathrin , Mcharo Ruby D. , Haule Antelmo , Mhizde Jacklina , Mnkai Jonathan , Mahenge Anifrid , Mwakatima Maria , Sembo Margareth , Mwalongo Wolfram , Agrea Peter , Hoelscher Michael , Maboko Leonard , Saathoff Elmar , Geisenberger Otto , Rwegoshora France , Torres Liset , Koup Richard A. , Kroidl Arne , Chachage Mkunde , Geldmacher Christof
Published: October 2021

Background

Cervical cancer - caused by persistent High Risk Human Papilloma Virus (HR HPV) infections - is the second most common cancer affecting women globally. HIV infection increases the risk for HPV persistence, associated disease progression and malignant cell transformation. We therefore hypothesized that this risk increase is directly linked to HIV infection associated dysfunction or depletion of HPV-oncoprotein-specific T-cell responses.

Methods

The 2H study specifically included HIV+ and HIV- women with and without cervical lesions and cancer to analyze HPV oncogene-specific T cell responses in relation to HPV infection, cervical lesion status and HIV status. Oncoprotein E6 and E7 specific T-cell responses were quantified for the most relevant types HPV16, 18 and 45 and control antigens (CMV-pp65) and M.tb-PPD in 373 women, using fresh peripheral blood mononuclear cells in an IFN-γ release ELISpot assay.

Results

Overall, systemic E6- and E7-oncoprotein-specific T-cell responses were infrequent and of low magnitude, when compared to CMV-pp65 and M.tb-PPD (p < 0.001 for all HR HPV types). Within HIV negative women infected with either HPV16, 18 or 45, HPV16 infected women had lowest frequency of autologous-type-E6/E7-specific T-cell responses (33%, 16/49), as compared to HPV18 (46% (6/13), p = 0.516) and HPV45 (69% (9/13), p = 0.026) infected women. Prevalent HPV18 and 45, but not HPV16 infections were linked to detectable oncoprotein-specific T-cell responses, and for these infections, HIV infection significantly diminished T-cell responses targeting the autologous infecting genotype. Within women living with HIV, low CD4 T-cell counts, detectable HIV viremia as well as cancerous and precancerous lesions were significantly associated with depletion of HPV oncoprotein-specific T-cell responses.

Discussion

Depletion of HPV-oncoprotein-specific T-cell responses likely contributes to the increased risk for HR HPV persistence and associated cancerogenesis in women living with HIV. The low inherent immunogenicity of HPV16 oncoproteins may contribute to the exceptional potential for cancerogenesis associated with HPV16 infections.