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Zhuo Liu, Juan Huang, Madhusudan Tyagi, Hugh O'Neill, Qiu Zhang, Eugene Mamontov, Nitin Jain, Yujie Wang, Jie Zhang, Jeremy C Smith, Liang Hong
Water is widely assumed to be essential for protein dynamics and function. In particular, the well-documented "dynamical" transition at ∼200  K, at which the protein changes from a rigid, nonfunctional form to a flexible, functional state, as detected in hydrogenated protein by incoherent neutron scattering, requires hydration. Here, we report on coherent neutron scattering experiments on perdeuterated proteins and reveal that a transition occurs in dry proteins at the same temperature resulting primarily from the collective heavy-atom motions...
July 28, 2017: Physical Review Letters
Saikat Ghosh, Biswajit Mukherjee, Shreyasi Chaudhuri, Tanushree Roy, Alankar Mukherjee, Soma Sengupta
Aspasomes of methotrexate with antioxidant, ascorbyl palmitate, were developed and optimized using factorial design by varying parameters such as lipid molar ratio, drug to lipid molar ratio, and type of hydration buffer for transdermal delivery for disease modifying activity in rheumatoid arthritis (RA). Aspasomes were characterized by drug-excipients interaction, particle size analysis, determination of zeta potential, entrapment efficiency, and surface properties. The best formulation was loaded into hydrogel for evaluation of in vitro drug release and tested in vivo against adjuvant induced arthritis model in wistar rats, by assessing various physiological, biochemical, hematological, and histopathological parameters...
January 16, 2018: AAPS PharmSciTech
Victoria N Syryamina, Marta De Zotti, Claudio Toniolo, Fernando Formaggio, Sergei A Dzuba
The antimicrobial action of the peptide antibiotic alamethicin (Alm) is commonly related to peptide self-assembling resulting in the formation of voltage-dependent channels in bacterial membranes, which induces ion permeation. To obtain a deeper insight into the mechanism of channel formation, it is useful to know the dependence of self-assembling on peptide concentration. With this aim, we studied Alm F50/5 spin-labeled analogs in a model 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membrane, for peptide-to-lipid (P/L) ratios varying between 1/1500 and 1/100...
January 17, 2018: Physical Chemistry Chemical Physics: PCCP
Farzaneh Ashrafi, Zeinab Ebrahimi, Mehdi Nematbakhsh
Background: The aim of this study was to evaluate the protective role of short hydration against nephrotoxicity induced by cisplatin (CDDP). Materials and Methods: Twenty-two patients (13 men and 9 women) under CDDP therapy were enrolled in this retrospective study between 2009 and 2014. The CDDP was given in 500 ml of isotonic solution, and before and after CDDP administration, the patients received 10mEq potassium chloride15% and 1gr magnesium sulfate in 1000 ml isotonic saline. Renal parameters were evaluated on the first day of each cycle of CDDP therapy...
October 1, 2017: International Journal of Hematology-oncology and Stem Cell Research
Tihitinna Asmellash Belay, C Y Lin, H M Hsiao, M F Chang, J C Liu
In this study, we demonstrated that the choice of precursor has a strong effect on the reduction of nitrate (NO3-) using zero-valent copper (Cu0) synthesized by sodium borohydride (NaBH4). Different precursors: CuSO4, CuO, Cu2O, Cu powder, and Cu mesh were used to reduce NO3- at 677 mg-N/L under the reducing conditions of NaBH4. Compared with the prehydrolyzed samples, those prepared without prehydrolysis exhibited lower reduction rates, longer times and higher concentrations of nitrite (NO2-) intermediate...
January 2018: Water Science and Technology: a Journal of the International Association on Water Pollution Research
Jianbo Zhang, Shana Sturla, Christophe Lacroix, Clarissa Schwab
Acrolein is a highly reactive electrophile causing toxic effects, such as DNA and protein adduction, oxidative stress, endoplasmic reticulum stress, immune dysfunction, and membrane damage. This Opinion/Hypothesis provides an overview of endogenous and exogenous acrolein sources, acrolein's mode of action, and its metabolic fate. Recent reports underpin the finding that gut microbial glycerol metabolism leading to the formation of reuterin is an additional source of endogenous acrolein. Reuterin is an antimicrobial multicomponent system consisting of 3-hydroxypropionaldehyde, its dimer and hydrate, and also acrolein...
January 16, 2018: MBio
Xia Zeng, Xinnuo Xiong, Hongqin Yang, Bin Tang, Qiaohong Du, Quan Hou, Zili Suo, Hui Li
A novel hydrate (SH2O) of nandrolone (NT) was prepared by anti-solvent methods. The crystallization processes with two schemes (A and B) were monitored by in-line near-infrared (NIR) spectroscopy. The amounts of SH2O in powder samples obtained by the anti-solvent crystallization and storage process were quantified by NIR combined with chemometrics methods. In-line NIR spectra from 4500 to 8000 cm-1 were chosen to capture physicochemical changes during the whole crystallization process. The combination of the principal component (PCA) results with offline characterization (scanning electron microscopy, powder x-ray diffraction, NIR) data showed that both schemes yielded high purity SH2O products, but the crystallization speed of Scheme B was significantly accelerated...
January 12, 2018: Journal of Pharmaceutical Sciences
Attilio Vittorio Vargiu, Venkata Krishnan Ramaswamy, Ivana Malvacio, Giuliano Malloci, Ulrich Kleinekathöfer, Paolo Ruggerone
BACKGROUND: Efflux pumps of the Resistance-Nodulation-cell Division superfamily confer multi-drug resistance to Gram-negative bacteria. The most-studied polyspecific transporter belonging to this class is the inner-membrane trimeric antiporter AcrB of Escherichia coli. In previous studies, a functional rotation mechanism was proposed for its functioning, according to which the three monomers undergo concerted conformational changes facilitating the extrusion of substrates. However, the molecular determinants and the energetics of this mechanism still remain unknown, so its feasibility must be proven mechanistically...
January 12, 2018: Biochimica et Biophysica Acta
Carlos Eduardo Castro, Caroline Arana da Silva Ribeiro, Alex C Alavarse, Lindomar J C Albuquerque, Maria Cristina Carlan da Silva, Eliézer Jager, František Surman, Vanessa Schmidt, Cristiano Giacomelli, Fernando Carlos Giacomelli
The development of nanovehicles for intracellular drug delivery is strongly bound to the understating and control of nanoparticles cellular uptake process, which in turn is governed by surface chemistry. In this study, we explored the synthesis, characterization and cellular uptake of block copolymer assemblies consisting of a pH-responsive poly[2-(diisopropylamino)ethyl methacrylate] (PDPA) core stabilized by three different biocompatible hydrophilic shells (a zwitterionic type poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC) layer, a highly hydrated poly(ethylene oxide) (PEO) layer with stealth effect, and an also proven non-toxic and non-immunogenic poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) layer)...
January 16, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
Ulises Orozco-Valencia, José L Gázquez, Alberto Vela
The local and global charge transfer approach based on the two parabolas model is applied to several problems aiming to show the importance of incorporating the reaction conditions to evaluate the global and local chemical descriptors. It is shown that by preparing the reactants the chemical potentials of the reacting species determined by the two parabolas model satisfy the condition for the transfer of electrons in the direction dictated by the chemical potential difference. The model is applied to the hydration of alkenes, showing that it recovers Markovnikov's rule, to aromatic nitration, and to the interaction of nitrobenzenes with 1,3-diethylurea, an electrochemically controlled hydrogen-bonding problem...
January 16, 2018: Journal of Physical Chemistry. A
Eva M Bruening, Jakob Schauss, Torsten Uwe Siebert, Benjamin P Fingerhut, Thomas Elsaesser
The equilibrium structure of the RNA sugar-phosphate backbone and its hydration shell is distinctly different from hydrated DNA. Applying femtosecond two-dimensional infrared (2D-IR) spectroscopy in a range from 950 to 1300 cm-1, we elucidate the character, dynamics, and couplings of backbone modes of a double-stranded RNA A-helix geometry in its aqueous environment. The 2D-IR spectra display a larger number of backbone modes than for DNA, with distinctly different lineshapes of diagonal peaks. Phosphate-ribose interactions and local hydration structures are reflected in the complex coupling pattern of RNA modes...
January 16, 2018: Journal of Physical Chemistry Letters
Sophie De Seigneux, Belen Ponte, Karine Hadaya, Yassine Bouatou, Patrick Saudan
New antidiabetic drugs which slow effectively the course of diabetic nephropathy are now available. There is no benefit of prophylactic hydratation to prevent contrast nephropathy in patients with moderate chronic kidney disease. In elderly hemodialysis patients, hemodiafiltration seems better tolerated than conventional hemodialysis, although there is a similar dialysis-induced myocardial stress with both methods. Role of de novo donor-specific antibodies is better characterized, which may subsequently lead to new treatments of graft rejection...
January 10, 2018: Revue Médicale Suisse
Karla Santacruz-Gomez, Andrei Sarabia-Sainz, Monica Acosta-Elias, Manuel Sarabia-Sainz, Woraphong Janetanakit, Nathan Khosla, Rodrigo Melendrez, Martin Pedroza-Montero, Ratnesh Lal
Water radiolysis involves the chemical decomposition of the water molecule into free radicals after the exposure with ionizing radiation. These free radicals have deleterious effects on normal cell physiology. Carboxylated nanodiamonds (cNDs) appear to modulate the deleterious effects of γ-irradiation on red blood cells (RBCs) pathophysiology. In the present work, the antioxidant activity of hydrated-cNDs (h-cNDs) on limiting the oxidative damage (water radiolysis effect) by γ-irradiation was confirmed. Our results show that h-cNDs has remarkable free radicals scavenging ability and preserves the catalase enzymatic activity after γ-irradiation...
January 16, 2018: Nanotechnology
Iftikhar Khan, Sakib Yousaf, Sneha Subramanian, Mohamed Albed Alhnan, Waqar Ahmed, Abdelbary Elhissi
Proliposome powders were prepared via a slurry method using sorbitol or D-mannitol as carbohydrate carriers in 1:10 or 1:15 w/w lipid phase to carrier ratios. Soya phosphatidylcholine (SPC) and cholesterol were employed as a lipid phase and Beclometasone dipropionate (BDP) was incorporated as a model drug. Direct compaction using a Minipress was applied on the lipid-enriched powder in order to manufacture proliposome tablets. Sorbitol-based proliposome tablets in a 1:15 w/w ratio were found to be the best formulation as it exhibited excellent powder flowability with an angle of repose of 25...
January 11, 2018: International Journal of Pharmaceutics
Yi S Guang, Xia Ren, Shuang Zhao, Quan Z Yan, Gang Zhao, Yao H Xu
The objective of this study was to develop a ratiometric and colorimetric organic sensor for Pb2+ detection in environmental samples. A new probe 4-phenyl amino thiourea (PAT) was designed and synthesized using hydrazine hydrate and phenyl isothiocyanate as raw materials. After its structure was characterized and confirmed, its UV-vis spectral property was investigated in detail. PAT possesses a specifically real-time, ratiometric and colorimetric response to Pb2+ in dimethyl formamide (DMF)/H2O (v/v = 9:1, pH = 7...
January 16, 2018: Journal of Environmental Science and Health. Part A, Toxic/hazardous Substances & Environmental Engineering
Yasuo Kameda, Shunya Maeda, Yuko Amo, Takeshi Usuki, Kazutaka Ikeda, Toshiya Otomo
Neutron diffraction measurements have been carried out for 6Li/7Li isotopically substituted aqueous 1.0 mol% (0.5 mol/kg) LiCl and 1.1 mol% (0.56 mol/kg) LiClO4 solutions in D2O to obtain structural insight concerning hydration structure of Li+ in more dilute electrolyte solutions. The first-order difference function, ΔLi(Q), was analyzed by means of the least squares fitting procedure to obtain short-range structural parameters around the Li+. It was revealed that the nearest neighbor Li+…O(D2O) distance, rLiO, and the coordination number, nLiO, for the aqueous 1...
January 16, 2018: Journal of Physical Chemistry. B
Heidi Mohamed Abdel-Mageed, Afaf S Fahmy, Dalia S Shaker, Saleh A Mohamed
One of the main challenges for successful pharmaceutical application of Catalase (CAT) is maintaining its stability. Physical immobilization of CAT through nano-encapsulation was proposed to resolve this challenge. CAT encapsulating niosomes (e-CAT) were prepared using Brij® 30, 52, 76, 92, and 97 in the presence of cholesterol (Ch) by thin film hydration method. Niosomes were characterized for encapsulation efficiency % (EE), size, poly-dispersity index (PI), and morphology. Kinetic parameters, pH optimum, thermal stability, and reusability of CAT were determined...
January 16, 2018: Artificial Cells, Nanomedicine, and Biotechnology
(no author information available yet)
OBJECTIVE: Mechanical ventilation (MV) in preterm infants (PTI) causes discomfort. Whether it causes pain is controversial. Meta analysis reviews of published work on PTI during MV have shown no clinically significant impact of opioids on pain scales, and hence not recommended for routine use in neonatal intensive care units (NICUs). Similarly regular use of sedative midazolam is also not recommended. Therefore we hypothesized a downward trend in narcotics and sedatives used in MV of PTI in NICUs...
January 2018: Zhongguo Dang Dai Er Ke za Zhi, Chinese Journal of Contemporary Pediatrics
Madhulika Gupta, Prabir Khatua, Charusita Chakravarty, Sanjoy Bandyopadhyay
The microscopic properties of water confined within different segments of Trpzip4 (TZ4), Trpzip5 (TZ5) and Trzpip6 (TZ6) have been compared for all the states characterized along their folding pathways. In particular, structural ordering, energetics, and dynamics of water have been examined as the peptide unfolds along the free energy landscape. It is observed that the structuring of tetrahedral network as well as translational and rotational motions of hydration waters confined within the strands and the turn regions are very different, revealing motional heterogeneity in small 16-residue trpzips...
January 15, 2018: Journal of Physical Chemistry. B
Rui-Jun Ju, Lan Cheng, Xiao Qiu, Shuang Liu, Xiao-Li Song, Xiao-Ming Peng, Teng Wang, Cui-Qing Li, Xue-Tao Li
BACKGROUND: Breast cancer is an alarming global public health problem and a main cause of cancer-related death in women. Systemic chemotherapy is the most widely used treatment for breast cancer. However, current chemotherapy treatments are far from desirable due to poor targeting specificity, severe side effects, and vasculogenic mimicry (VM). PURPOSE: Hyaluronic acid (HA) modified daunorubicin plus honokiol cationic liposomes were prepared and characterized for treatment of breast cancer by eliminating VM...
January 15, 2018: Journal of Drug Targeting
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