Did you know ? If you order before Friday 14h we deliver 90PCT of the the time next Tuesday, GENTAUR another in time delivery

Pubmed ID :30004162
Publication Date : //

Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism.


We demonstrate that molecular vibrations with originally low or zero intensity in a vibrational circular dichroism (VCD) spectrum attain chirality in molecular crystals by coordinated motion of the atoms. Ab initio molecular dynamics simulations of anharmonic solid-state VCD spectra of l-alanine crystals reveal how coherent vibrational modes exploit the space group's chirality, leading to non-local, enhanced VCD features, most significantly in the carbonyl region of the spectrum. The VCD-enhanced signal is ascribed to a helical arrangement of the oscillators in the crystal layers. No structural irregularities need to be considered to explain the amplification, but a crucial point lies in the polarization of charge, which requires an accurate description of the electronic structure. Delivering a quantitative atomic conception of supramolecular chirality induction, our ab initio scheme is applicable well beyond molecular crystals, for example, to address VCD in proteins and related compounds.

Authors : Jähnigen Sascha , Scherrer Arne , Vuilleumier Rodolphe , Sebastiani Daniel ,

Related products :

Catalog number Product name Quantity
27-236 DEK is a protein with one SAP domain. This protein binds to cruciform and superhelical DNA and induces positive supercoils into closed circular DNA, and is also involved in splice site selection durin 0.05 mg
na Chiral compounds_ chemicals = Chiral building blocks = 1g
B1138 Aseptic Packing Line Commissioning Medium USE For a fluid medium used in validating aseptic packing lines. Qty per Litre of Medium: 17,5
B1138 Aseptic Packing Line Commissioning Medium USE : For a fluid medium used in validating aseptic packing lines. 5x500gm
166948-49-8 Chiral 1g
R01650 (R)-Rhododendrol chiral 97 percent 25 MG
R01650 (R)-Rhododendrol chiral 97 percent 100 MG
R01650 (R)-Rhododendrol chiral 97 percent 1000 MG
67174-25-8 N-Benzylquininium chloride chiral phase-transfer ca 1g
77481-82-4 N-Benzylquinidinium chloride chiral phase-transfer ca 1g
69221-14-3 N-Benzylcinchoninium chloride chiral phase-transfer ca 1g
69257-04-1 N-Benzylcinchonidinium chloride chiral phase-transfer ca 1g
MSK-2 Crystal Harvesting Sampler Kit, contains 100 mounts for crystal harvesting and data collection; 20 Dual Thickness MicroMounts, 20 MicroLoops LD, 20 MicroMesh, 20 MicroLoop E, and 20 MicroGrippers kit
MSK-2 Crystal Harvesting Sampler Kit, contains 100 mounts for crystal harvesting and data collection; 20 Dual Thickness MicroMounts, 20 MicroLoops LD, 20 MicroMesh, 20 MicroLoop E, and 20 MicroGrippers 1 kit
MSK-2 Crystal Harvesting Sampler Kit, contains 100 mounts for crystal harvesting and data collection; 20 Dual Thickness MicroMounts, 20 MicroLoops LD, 20 MicroMesh, 20 MicroLoop E, and 20 MicroGrippers kit
SEKL15 Silver Enhancement Kit 15ml
MSK-1 Crystal Harvesting Sampler Kit, contains 40 mounts for crystal harvesting and data collection; 10 Dual Thickness MicroMounts, 10 MicroLoops, 5 MicroMesh, 5 MicroLoop LD, 5 MicroLoop E, and 5 MicroGrip kit
MSK-1 Crystal Harvesting Sampler Kit, contains 40 mounts for crystal harvesting and data collection; 10 Dual Thickness MicroMounts, 10 MicroLoops, 5 MicroMesh, 5 MicroLoop LD, 5 MicroLoop E, and 5 MicroGrip 1 kit
BIO-38037 Bacterial Enhancement Reagent 20ml
CSL-103 18 mm Circular Cover Slides - plain 1000 pcs.
CSL-105 18 mm Circular Cover Slides - siliconized 500pcs.
CSL-105 18 mm Circular Cover Slides - siliconized 500 pcs.
CSL-106 22 mm Circular Cover Slides - siliconized 500 pcs.
CSL-106 22 mm Circular Cover Slides - siliconized 500pcs.
CSL-103 18 mm Circular Cover Slides - plain 1000pcs.


 

GENTAUR Belgium BVBA BE0473327336
Voortstraat 49, 1910 Kampenhout BELGIUM
Tel 0032 16 58 90 45

Fax 0032 16 50 90 45
info@gentaur.com | Gentaur





GENTAUR Ltd.
Howard Frank Turnberry House
1404-1410 High Road
Whetstone London N20 9BH
Tel 020 3393 8531 Fax 020 8445 9411
uk@gentaur.com | Gentaur

 

 




GENTAUR France SARL
9, rue Lagrange, 75005 Paris
Tel 01 43 25 01 50

Fax 01 43 25 01 60
RCS Paris B 484 237 888

SIRET 48423788800017

BNP PARIBAS PARIS PL MAUBERT BIC BNPAFRPPPRG

france@gentaur.com | Gentaur

GENTAUR GmbH
Marienbongard 20
52062 Aachen Deutschland
Support Karolina Elandt
Tel: 0035929830070
Fax: (+49) 241 56 00 47 88

Logistic :0241 40 08 90 86
Bankleitzahl 39050000
IBAN lautet DE8839050000107569353
Handelsregister Aachen HR B 16058
Umsatzsteuer-Identifikationsnummer *** DE 815175831
Steuernummer 201/5961/3925
de@gentaur.com | Gentaur

GENTAUR U.S.A
Genprice Inc, Logistics
547, Yurok Circle
San Jose, CA 95123
CA 95123
Tel (408) 780-0908,
Fax (408) 780-0908,
sales@genprice.com

Genprice Inc, Invoices and accounting
6017 Snell Ave, Ste 357
San Jose, CA 95123




GENTAUR Nederland BV
NL850396268B01 KVK nummer 52327027
Kuiper 1
5521 DG Eersel Nederland
Tel:  0208-080893  Fax: 0497-517897
nl@gentaur.com | Gentaur
IBAN: NL04 RABO 0156 9854 62   SWIFT RABONL2U






GENTAUR Spain
tel:0911876558
spain@gentaur.com | Gentaur






ГЕНТАУЪР БЪЛГАРИЯ
ID # 201 358 931 /BULSTAT
София 1000, ул. "Граф Игнатиев" 53 вх. В, ет. 2
Tel 0035924682280 Fax 0035924808322
e-mail: Sofia@gentaur.com | Gentaur
IBAN: BG11FINV91501014771636
BIC: FINVBGSF

GENTAUR Poland Sp. z o.o.


ul. Grunwaldzka 88/A m.2
81-771 Sopot, Poland
TEL Gdansk 058 710 33 44 FAX  058 710 33 48              

poland@gentaur.com | Gentaur

Other countries

Österreich +43720880899

Canada Montreal +15149077481

Ceská republika Praha +420246019719

Danmark +4569918806

Finland Helsset +358942419041

Magyarország Budapest +3619980547

Ireland Dublin+35316526556

Luxembourg+35220880274

Norge Oslo+4721031366

Sverige Stockholm+46852503438

Schweiz Züri+41435006251

US New York+17185132983

GENTAUR Italy
SRL IVA IT03841300167
Piazza Giacomo Matteotti, 6
24122 Bergamo Tel 02 36 00 65 93
Fax 02 36 00 65 94
italia@gentaur.com | Gentaur