J. Appl. Cryst.の発刊に際して

The Pharmacological Basis of Therapeutics A Textbook of Pharmacology, Toxicology and Therapeutics for Physicians and Medical Students. By Prof. Louis Goodman and Prof. Alfred Gilman. Pp. xiii + 1383. (New York: The Macmillan Company, 1941.) 50s. net.

The Pharmacological Basis of Therapeutics

There is a special reason for reviewing this book at this time: it is the 50th edition of a compendium that is known and used frequently in most chemical and physical laboratories in many parts of the world. Surely, a publication that has been published for 56 years, withstanding the vagaries of science in this century, must have had something to offer. There is another reason: while the book is a standard fixture in most chemical and physical laboratories, including those in medical centers, it is not as frequently seen in the laboratories of physician's offices (those either in solo or group practice). I believe that the Handbook can be useful in those laboratories. One of the reasons, among others, is that the various basic items of information it offers may be helpful in new tests, either physical or chemical, which are continuously being published. The basic information may relate

Handbook of Chemistry and Physics

Chem. Pharm. Bull.(オピニオン)

We report a study of self-assembled beta-pleated sheets in B. mori silk fibroin films using thermal analysis and infrared spectroscopy. B. mori silk fibroin may stand as an exemplar of fibrous proteins containing crystalline beta-sheets. Materials were prepared from concentrated solutions (2−5 wt % fibroin in water) and then dried to achieve a less ordered state without beta-sheets. Crystallization of beta-pleated sheets was effected either by heating the films above the glass transition temperature (Tg) and holding isothermally or by exposure to methanol. The fractions of secondary structural components including random coils, alpha-helices, beta-pleated sheets, turns, and side chains were evaluated using Fourier self-deconvolution (FSD) of the infrared absorbance spectra. The silk fibroin films were studied thermally using temperature-modulated differential scanning calorimetry (TMDSC) to obtain the reversing heat capacity. The increment of the reversing heat capacity ΔCp0(Tg) at the glass transition fo...

/pdf/determining-beta-sheet-crystallinity-in-fibrous-proteins-by-2aov4wvj48.pdf

Determining Beta Sheet Crystallinity in Fibrous Proteins by Thermal Analysis and Infrared Spectroscopy

The acyclic C=N double bond of the title compound, C10H10N4S, is trans configured. The molecule is almost planar. The angle between the two rings is just 10.25 (7)degrees. The crystal packing is stabilized by N - H center dot center dot center dot S hydrogen bonds and pi - pi interactions.

4-(1E)-Benzylideneamino]-3-methyl-2,4-dihydro1H-1,2,4-triazole-5-thio ne

In the title mol­ecular salt, C9H14NOS+·Cl−, the crystal packing is stabilized by weak inter­molecular N—H⋯Cl, C—H⋯Cl and C—H⋯π inter­actions, which lead to the formation of a two-dimensional supra­molecular layer which stacks along the b axis.

https://journals.iucr.org/e/issues/2011/09/00/tk2775/tk2775.pdf

N,N-Dimethyl-3-oxo-3-(thio-phen-2-yl)propanaminium chloride.

Enhancing the Nlo Response of the Benzodiazepine Derivative with Different Solvents: Theoretical and Experimental Approach

The title compound, a salt of C13H20O2
 2+ 2Cl− 05 H2O, (I), crystallizes in the monoclinic space group C 2/c with unit cell parameters a = 34091(4) A, b = 72312(4) A, c = 125827(5) A, β = 96870(6)°, Z = 8 The dihedral angle between the mean plane of the benzyl ring and the piperazin-1-yl group is 804(2)°, while the angle between the mean planes of the carbonyl group with that of the benzyl and piperazin-1-yl rings measure 66(3)° and 768(3)°, respectively A short C=O and slightly extended C–O carboxyl bond in concert with weak intermolecular C–O···Cg π-ring interactions influences this twist angle with the benzyl ring and provides a slight interaction with the π conjugation of the benzene ring Hydrogen bonding has no effect on the carboxylic group Two separate two-center (acceptor bifurcated) Cl−···H–(N,O) hydrogen bonds are observed between one chloride anion and a water molecule and the piperazin-1-yl ring and a second chloride anion with a carboxyl oxygen atom and the piperazin-1-yl ring These direct intermolecular couplings link the molecule into chains along the [010] plane of the unit cell which influence the twist angles of the benzyl and piperazin-1-yl rings and help stabilize crystal packing in the unit cell Crystal Structure of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride hemihydrate is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation

Badiadka Narayana

Papers

4-(1E)-Benzylideneamino]-3-methyl-2,4-dihydro1H-1,2,4-triazole-5-thio ne

N,N-Dimethyl-3-oxo-3-(thio-phen-2-yl)propanaminium chloride.

Enhancing the Nlo Response of the Benzodiazepine Derivative with Different Solvents: Theoretical and Experimental Approach

Dual Chlorine-Bifurcated Acceptor Cl···H–(N,O) Hydrogen Bonds in 4-[(4-Methylpiperazin-1-yl) Methyl]benzoic Acid Dihydrochloride Hemihydrate

DFT Investigation, Chemical Reactivity Identification and Molecular Docking of 2(E)˗1˗(3˗Bromothiophene˗2˗yl)˗3˗(Furan˗2˗yl)Prop˗2˗en˗1˗one